(2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one

C181H230Cl8FN39O16 — CID 157310611

IUPAC(2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCC(C(=O)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@@H](C)OC3)CC1)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1)c1ccc(Cl)cc1.CC(C)NC[C@H](C(=O)N1CCN(c2ncnc3c2[C@@H](C)OC3)CC1)c1ccc(Cl)cc1.CC(C)NC[C@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1)c1ccc(Cl)cc1.C[C@@H]1OCc2ncnc(N3CCN(C(=O)C4(c5ccc(Cl)cc5)CCCC4)CC3)c21.C[C@@H]1OCc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c21.C[C@H]1OCc2ncnc(N3CCN(C(=O)[C@H](CC(C)(C)N)c4ccc(Cl)c(F)c4)CC3)c21
InChIInChI=1S/C23H29ClFN5O2.5C23H30ClN5O2.C23H27ClN4O2.C20H24ClN5O2/c1-14-20-19(12-32-14)27-13-28-21(20)29-6-8-30(9-7-29)22(31)16(11-23(2,3)26)15-4-5-17(24)18(25)10-15;5*1-15(2)25-12-19(17-4-6-18(24)7-5-17)23(30)29-10-8-28(9-11-29)22-21-16(3)31-13-20(21)26-14-27-22;1-16-20-19(14-30-16)25-15-26-21(20)27-10-12-28(13-11-27)22(29)23(8-2-3-9-23)17-4-6-18(24)7-5-17;1-13-18-17(11-28-13)23-12-24-19(18)25-6-8-26(9-7-25)20(27)16(22)10-14-2-4-15(21)5-3-14/h4-5,10,13-14,16H,6-9,11-12,26H2,1-3H3;5*4-7,14-16,19,25H,8-13H2,1-3H3;4-7,15-16H,2-3,8-14H2,1H3;2-5,12-13,16H,6-11,22H2,1H3/t14-,16-;16-,19?;2*16-,19+;2*16-,19-;16-;13-,16+/m10101000/s1
InChIKeyBCZOCHPHTBFLGD-SNKXDZPXSA-N
MW3510.71 g/mol
LogP25.00
Rot. Bonds42

About (2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one

(2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one (PubChem CID 157310611) has the molecular formula C181H230Cl8FN39O16 and a molecular weight of 3510.71 g/mol. Its IUPAC name is (2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name(2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
PubChem CID157310611
Molecular FormulaC181H230Cl8FN39O16
Molecular Weight3510.71 g/mol
Exact Mass3504.59
IUPAC Name(2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCC(C(=O)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@@H](C)OC3)CC1)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1)c1ccc(Cl)cc1.CC(C)NC[C@H](C(=O)N1CCN(c2ncnc3c2[C@@H](C)OC3)CC1)c1ccc(Cl)cc1.CC(C)NC[C@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1)c1ccc(Cl)cc1.C[C@@H]1OCc2ncnc(N3CCN(C(=O)C4(c5ccc(Cl)cc5)CCCC4)CC3)c21.C[C@@H]1OCc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c21.C[C@H]1OCc2ncnc(N3CCN(C(=O)[C@H](CC(C)(C)N)c4ccc(Cl)c(F)c4)CC3)c21
InChIInChI=1S/C23H29ClFN5O2.5C23H30ClN5O2.C23H27ClN4O2.C20H24ClN5O2/c1-14-20-19(12-32-14)27-13-28-21(20)29-6-8-30(9-7-29)22(31)16(11-23(2,3)26)15-4-5-17(24)18(25)10-15;5*1-15(2)25-12-19(17-4-6-18(24)7-5-17)23(30)29-10-8-28(9-11-29)22-21-16(3)31-13-20(21)26-14-27-22;1-16-20-19(14-30-16)25-15-26-21(20)27-10-12-28(13-11-27)22(29)23(8-2-3-9-23)17-4-6-18(24)7-5-17;1-13-18-17(11-28-13)23-12-24-19(18)25-6-8-26(9-7-25)20(27)16(22)10-14-2-4-15(21)5-3-14/h4-5,10,13-14,16H,6-9,11-12,26H2,1-3H3;5*4-7,14-16,19,25H,8-13H2,1-3H3;4-7,15-16H,2-3,8-14H2,1H3;2-5,12-13,16H,6-11,22H2,1H3/t14-,16-;16-,19?;2*16-,19+;2*16-,19-;16-;13-,16+/m10101000/s1
InChIKeyBCZOCHPHTBFLGD-SNKXDZPXSA-N
XLogP25.00
TPSA580.67 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds42
Heavy Atoms245
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003510.71
LogP ≤ 525.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Analyze (2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of (2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one (CID 157310611) is (2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for (2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for (2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one is CC(C)NCC(C(=O)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@@H](C)OC3)CC1)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1)c1ccc(Cl)cc1.CC(C)NC[C@H](C(=O)N1CCN(c2ncnc3c2[C@@H](C)OC3)CC1)c1ccc(Cl)cc1.CC(C)NC[C@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1)c1ccc(Cl)cc1.C[C@@H]1OCc2ncnc(N3CCN(C(=O)C4(c5ccc(Cl)cc5)CCCC4)CC3)c21.C[C@@H]1OCc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c21.C[C@H]1OCc2ncnc(N3CCN(C(=O)[C@H](CC(C)(C)N)c4ccc(Cl)c(F)c4)CC3)c21.
What is the InChIKey of (2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The InChIKey is BCZOCHPHTBFLGD-SNKXDZPXSA-N. The full InChI is InChI=1S/C23H29ClFN5O2.5C23H30ClN5O2.C23H27ClN4O2.C20H24ClN5O2/c1-14-20-19(12-32-14)27-13-28-21(20)29-6-8-30(9-7-29)22(31)16(11-23(2,3)26)15-4-5-17(24)18(25)10-15;5*1-15(2)25-12-19(17-4-6-18(24)7-5-17)23(30)29-10-8-28(9-11-29)22-21-16(3)31-13-20(21)26-14-27-22;1-16-20-19(14-30-16)25-15-26-21(20)27-10-12-28(13-11-27)22(29)23(8-2-3-9-23)17-4-6-18(24)7-5-17;1-13-18-17(11-28-13)23-12-24-19(18)25-6-8-26(9-7-25)20(27)16(22)10-14-2-4-15(21)5-3-14/h4-5,10,13-14,16H,6-9,11-12,26H2,1-3H3;5*4-7,14-16,19,25H,8-13H2,1-3H3;4-7,15-16H,2-3,8-14H2,1H3;2-5,12-13,16H,6-11,22H2,1H3/t14-,16-;16-,19?;2*16-,19+;2*16-,19-;16-;13-,16+/m10101000/s1.
What are the key properties of (2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
(2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one has a molecular weight of 3510.71 g/mol, XLogP of 25.00, 42 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;[1-(4-chlorophenyl)cyclopentyl]-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone;(2R)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 157310611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).