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

C91H113Cl4FN16O8 — CID 160821111

IUPAC4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCC(C(=O)N1CCN(c2ccnc3c2C(C)OC3)CC1)c1ccc(Cl)cc1.CC1OCc2nccc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(Cl)c(F)c4)CC3)c21.CC1OCc2nccc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c21.CC1OCc2nccc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)C[C@@H]3C)c21
InChIInChI=1S/C24H30ClFN4O2.C24H31ClN4O2.C22H27ClN4O2.C21H25ClN4O2/c1-15-22-20(14-32-15)28-7-6-21(22)29-8-10-30(11-9-29)23(31)17(13-24(2,3)27)16-4-5-18(25)19(26)12-16;1-16(2)27-14-20(18-4-6-19(25)7-5-18)24(30)29-12-10-28(11-13-29)22-8-9-26-21-15-31-17(3)23(21)22;1-14-12-26(22(28)18(24)11-16-3-5-17(23)6-4-16)9-10-27(14)20-7-8-25-19-13-29-15(2)21(19)20;1-14-20-18(13-28-14)24-7-6-19(20)25-8-10-26(11-9-25)21(27)17(23)12-15-2-4-16(22)5-3-15/h4-7,12,15,17H,8-11,13-14,27H2,1-3H3;4-9,16-17,20,27H,10-15H2,1-3H3;3-8,14-15,18H,9-13,24H2,1-2H3;2-7,14,17H,8-13,23H2,1H3/t;;14-,15?,18+;14?,17-/m..01/s1
InChIKeySFOGEFFFOXVXIL-ITMHMEHJSA-N
MW1719.82 g/mol
LogP13.26
Rot. Bonds19

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

4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one (PubChem CID 160821111) has the molecular formula C91H113Cl4FN16O8 and a molecular weight of 1719.82 g/mol. Its IUPAC name is 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
PubChem CID160821111
Molecular FormulaC91H113Cl4FN16O8
Molecular Weight1719.82 g/mol
Exact Mass1716.77
IUPAC Name4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCC(C(=O)N1CCN(c2ccnc3c2C(C)OC3)CC1)c1ccc(Cl)cc1.CC1OCc2nccc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(Cl)c(F)c4)CC3)c21.CC1OCc2nccc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c21.CC1OCc2nccc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)C[C@@H]3C)c21
InChIInChI=1S/C24H30ClFN4O2.C24H31ClN4O2.C22H27ClN4O2.C21H25ClN4O2/c1-15-22-20(14-32-15)28-7-6-21(22)29-8-10-30(11-9-29)23(31)17(13-24(2,3)27)16-4-5-18(25)19(26)12-16;1-16(2)27-14-20(18-4-6-19(25)7-5-18)24(30)29-12-10-28(11-13-29)22-8-9-26-21-15-31-17(3)23(21)22;1-14-12-26(22(28)18(24)11-16-3-5-17(23)6-4-16)9-10-27(14)20-7-8-25-19-13-29-15(2)21(19)20;1-14-20-18(13-28-14)24-7-6-19(20)25-8-10-26(11-9-25)21(27)17(23)12-15-2-4-16(22)5-3-15/h4-7,12,15,17H,8-11,13-14,27H2,1-3H3;4-9,16-17,20,27H,10-15H2,1-3H3;3-8,14-15,18H,9-13,24H2,1-2H3;2-7,14,17H,8-13,23H2,1H3/t;;14-,15?,18+;14?,17-/m..01/s1
InChIKeySFOGEFFFOXVXIL-ITMHMEHJSA-N
XLogP13.26
TPSA272.77 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001719.82
LogP ≤ 513.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-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 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one (CID 160821111) is 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one is CC(C)NCC(C(=O)N1CCN(c2ccnc3c2C(C)OC3)CC1)c1ccc(Cl)cc1.CC1OCc2nccc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(Cl)c(F)c4)CC3)c21.CC1OCc2nccc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c21.CC1OCc2nccc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)C[C@@H]3C)c21.
What is the InChIKey of 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The InChIKey is SFOGEFFFOXVXIL-ITMHMEHJSA-N. The full InChI is InChI=1S/C24H30ClFN4O2.C24H31ClN4O2.C22H27ClN4O2.C21H25ClN4O2/c1-15-22-20(14-32-15)28-7-6-21(22)29-8-10-30(11-9-29)23(31)17(13-24(2,3)27)16-4-5-18(25)19(26)12-16;1-16(2)27-14-20(18-4-6-19(25)7-5-18)24(30)29-12-10-28(11-13-29)22-8-9-26-21-15-31-17(3)23(21)22;1-14-12-26(22(28)18(24)11-16-3-5-17(23)6-4-16)9-10-27(14)20-7-8-25-19-13-29-15(2)21(19)20;1-14-20-18(13-28-14)24-7-6-19(20)25-8-10-26(11-9-25)21(27)17(23)12-15-2-4-16(22)5-3-15/h4-7,12,15,17H,8-11,13-14,27H2,1-3H3;4-9,16-17,20,27H,10-15H2,1-3H3;3-8,14-15,18H,9-13,24H2,1-2H3;2-7,14,17H,8-13,23H2,1H3/t;;14-,15?,18+;14?,17-/m..01/s1.
What are the key properties of 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one has a molecular weight of 1719.82 g/mol, XLogP of 13.26, 19 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;(2R)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 160821111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).