8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone

C172H204F9N27O15 — CID 162123984

IUPAC8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone
SMILESCC1=NC2(CCN(C(=O)C3(F)CCN(CC4CCOCC4)CC3)CC2)N=C1c1cccc(C)c1.Cc1cc(CN2C(=O)C3(CCN(C(=O)C4CCN(Cc5ccnc(N)c5)CC4)CC3)c3ccccc32)cc(C(F)(F)F)c1.Cc1cc(CN2CC(c3ccccc3)C3(CCN(C(=O)C4CCN(Cc5ccnc(N)c5)CC4)CC3)C2=O)cc(C(F)(F)F)c1.Nc1ncc(CN2CCC(C(=O)N3CCC4(CC3)CC(=O)c3cc(F)ccc3O4)CC2)cn1.Nc1ncc(CN2CCC(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)CC2)cn1.O=C(N1CCC2(CC1)C(=O)N(c1ccccc1)c1ccccc12)C1(F)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C35H40F3N5O2.C33H36F3N5O2.C30H36FN3O3.C27H37FN4O2.C24H28FN5O3.C23H27N5O3/c1-24-17-26(19-29(18-24)35(36,37)38)22-43-23-30(27-5-3-2-4-6-27)34(33(43)45)10-15-42(16-11-34)32(44)28-8-13-41(14-9-28)21-25-7-12-40-31(39)20-25;1-22-16-24(18-26(17-22)33(34,35)36)21-41-28-5-3-2-4-27(28)32(31(41)43)9-14-40(15-10-32)30(42)25-7-12-39(13-8-25)20-23-6-11-38-29(37)19-23;31-30(14-16-32(17-15-30)22-23-10-20-37-21-11-23)28(36)33-18-12-29(13-19-33)25-8-4-5-9-26(25)34(27(29)35)24-6-2-1-3-7-24;1-20-4-3-5-23(18-20)24-21(2)29-27(30-24)10-14-32(15-11-27)25(33)26(28)8-12-31(13-9-26)19-22-6-16-34-17-7-22;25-18-1-2-21-19(11-18)20(31)12-24(33-21)5-9-30(10-6-24)22(32)17-3-7-29(8-4-17)15-16-13-27-23(26)28-14-16;24-22-25-13-16(14-26-22)15-27-9-5-17(6-10-27)20(29)28-11-7-23(8-12-28)19-4-2-1-3-18(19)21(30)31-23/h2-7,12,17-20,28,30H,8-11,13-16,21-23H2,1H3,(H2,39,40);2-6,11,16-19,25H,7-10,12-15,20-21H2,1H3,(H2,37,38);1-9,23H,10-22H2;3-5,18,22H,6-17,19H2,1-2H3;1-2,11,13-14,17H,3-10,12,15H2,(H2,26,27,28);1-4,13-14,17H,5-12,15H2,(H2,24,25,26)
InChIKeyZHUAOSNXAABMNH-UHFFFAOYSA-N
MW3060.68 g/mol
LogP23.61
Rot. Bonds25

About 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone

8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone (PubChem CID 162123984) has the molecular formula C172H204F9N27O15 and a molecular weight of 3060.68 g/mol. Its IUPAC name is 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone.

Molecular Properties

Compound Name8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone
PubChem CID162123984
Molecular FormulaC172H204F9N27O15
Molecular Weight3060.68 g/mol
Exact Mass3058.59
IUPAC Name8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone
SMILESCC1=NC2(CCN(C(=O)C3(F)CCN(CC4CCOCC4)CC3)CC2)N=C1c1cccc(C)c1.Cc1cc(CN2C(=O)C3(CCN(C(=O)C4CCN(Cc5ccnc(N)c5)CC4)CC3)c3ccccc32)cc(C(F)(F)F)c1.Cc1cc(CN2CC(c3ccccc3)C3(CCN(C(=O)C4CCN(Cc5ccnc(N)c5)CC4)CC3)C2=O)cc(C(F)(F)F)c1.Nc1ncc(CN2CCC(C(=O)N3CCC4(CC3)CC(=O)c3cc(F)ccc3O4)CC2)cn1.Nc1ncc(CN2CCC(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)CC2)cn1.O=C(N1CCC2(CC1)C(=O)N(c1ccccc1)c1ccccc12)C1(F)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C35H40F3N5O2.C33H36F3N5O2.C30H36FN3O3.C27H37FN4O2.C24H28FN5O3.C23H27N5O3/c1-24-17-26(19-29(18-24)35(36,37)38)22-43-23-30(27-5-3-2-4-6-27)34(33(43)45)10-15-42(16-11-34)32(44)28-8-13-41(14-9-28)21-25-7-12-40-31(39)20-25;1-22-16-24(18-26(17-22)33(34,35)36)21-41-28-5-3-2-4-27(28)32(31(41)43)9-14-40(15-10-32)30(42)25-7-12-39(13-8-25)20-23-6-11-38-29(37)19-23;31-30(14-16-32(17-15-30)22-23-10-20-37-21-11-23)28(36)33-18-12-29(13-19-33)25-8-4-5-9-26(25)34(27(29)35)24-6-2-1-3-7-24;1-20-4-3-5-23(18-20)24-21(2)29-27(30-24)10-14-32(15-11-27)25(33)26(28)8-12-31(13-9-26)19-22-6-16-34-17-7-22;25-18-1-2-21-19(11-18)20(31)12-24(33-21)5-9-30(10-6-24)22(32)17-3-7-29(8-4-17)15-16-13-27-23(26)28-14-16;24-22-25-13-16(14-26-22)15-27-9-5-17(6-10-27)20(29)28-11-7-23(8-12-28)19-4-2-1-3-18(19)21(30)31-23/h2-7,12,17-20,28,30H,8-11,13-16,21-23H2,1H3,(H2,39,40);2-6,11,16-19,25H,7-10,12-15,20-21H2,1H3,(H2,37,38);1-9,23H,10-22H2;3-5,18,22H,6-17,19H2,1-2H3;1-2,11,13-14,17H,3-10,12,15H2,(H2,26,27,28);1-4,13-14,17H,5-12,15H2,(H2,24,25,26)
InChIKeyZHUAOSNXAABMNH-UHFFFAOYSA-N
XLogP23.61
TPSA479.43 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003060.68
LogP ≤ 523.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone?
The IUPAC name of 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone (CID 162123984) is 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone.
What is the SMILES notation for 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone?
The canonical SMILES for 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone is CC1=NC2(CCN(C(=O)C3(F)CCN(CC4CCOCC4)CC3)CC2)N=C1c1cccc(C)c1.Cc1cc(CN2C(=O)C3(CCN(C(=O)C4CCN(Cc5ccnc(N)c5)CC4)CC3)c3ccccc32)cc(C(F)(F)F)c1.Cc1cc(CN2CC(c3ccccc3)C3(CCN(C(=O)C4CCN(Cc5ccnc(N)c5)CC4)CC3)C2=O)cc(C(F)(F)F)c1.Nc1ncc(CN2CCC(C(=O)N3CCC4(CC3)CC(=O)c3cc(F)ccc3O4)CC2)cn1.Nc1ncc(CN2CCC(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)CC2)cn1.O=C(N1CCC2(CC1)C(=O)N(c1ccccc1)c1ccccc12)C1(F)CCN(CC2CCOCC2)CC1.
What is the InChIKey of 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone?
The InChIKey is ZHUAOSNXAABMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40F3N5O2.C33H36F3N5O2.C30H36FN3O3.C27H37FN4O2.C24H28FN5O3.C23H27N5O3/c1-24-17-26(19-29(18-24)35(36,37)38)22-43-23-30(27-5-3-2-4-6-27)34(33(43)45)10-15-42(16-11-34)32(44)28-8-13-41(14-9-28)21-25-7-12-40-31(39)20-25;1-22-16-24(18-26(17-22)33(34,35)36)21-41-28-5-3-2-4-27(28)32(31(41)43)9-14-40(15-10-32)30(42)25-7-12-39(13-8-25)20-23-6-11-38-29(37)19-23;31-30(14-16-32(17-15-30)22-23-10-20-37-21-11-23)28(36)33-18-12-29(13-19-33)25-8-4-5-9-26(25)34(27(29)35)24-6-2-1-3-7-24;1-20-4-3-5-23(18-20)24-21(2)29-27(30-24)10-14-32(15-11-27)25(33)26(28)8-12-31(13-9-26)19-22-6-16-34-17-7-22;25-18-1-2-21-19(11-18)20(31)12-24(33-21)5-9-30(10-6-24)22(32)17-3-7-29(8-4-17)15-16-13-27-23(26)28-14-16;24-22-25-13-16(14-26-22)15-27-9-5-17(6-10-27)20(29)28-11-7-23(8-12-28)19-4-2-1-3-18(19)21(30)31-23/h2-7,12,17-20,28,30H,8-11,13-16,21-23H2,1H3,(H2,39,40);2-6,11,16-19,25H,7-10,12-15,20-21H2,1H3,(H2,37,38);1-9,23H,10-22H2;3-5,18,22H,6-17,19H2,1-2H3;1-2,11,13-14,17H,3-10,12,15H2,(H2,26,27,28);1-4,13-14,17H,5-12,15H2,(H2,24,25,26).
What are the key properties of 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone?
8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone has a molecular weight of 3060.68 g/mol, XLogP of 23.61, 25 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one;1'-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;1'-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one;[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]-[2-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]methanone is sourced from PubChem (CID 162123984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).