1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

C124H145F3N24O8 — CID 158254822

IUPAC1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(N(C)c4cc5ccncc5cc4F)n3)ccc12.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCOC4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCC[C@@H]4O)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C42H47FN8O2.2C41H49FN8O3/c1-26(2)50-25-45-36-23-35(46-40(39(36)50)47(4)38-19-28-10-13-44-24-30(28)18-34(38)43)29-8-9-33-37(20-29)51(32-21-31(22-32)49-14-6-5-7-15-49)41(53)42(33)11-16-48(17-12-42)27(3)52;1-25(2)49-24-44-34-20-33(46-37(36(34)49)45-32-7-12-43-21-31(32)42)26-5-6-30-35(17-26)50(29-18-28(19-29)48-13-9-40(3,4)23-48)39(52)41(30)10-14-47(15-11-41)38(51)27-8-16-53-22-27;1-25(2)49-24-44-34-22-33(46-38(37(34)49)45-32-11-14-43-23-31(32)42)26-9-10-30-35(19-26)50(28-20-27(21-28)47-15-4-3-5-16-47)40(53)41(30)12-17-48(18-13-41)39(52)29-7-6-8-36(29)51/h8-10,13,18-20,23-26,31-32H,5-7,11-12,14-17,21-22H2,1-4H3;5-7,12,17,20-21,24-25,27-29H,8-11,13-16,18-19,22-23H2,1-4H3,(H,43,45,46);9-11,14,19,22-25,27-29,36,51H,3-8,12-13,15-18,20-21H2,1-2H3,(H,43,45,46)/t;27-,28?,29?;27?,28?,29-,36+/m.11/s1
InChIKeyGHDPKPDJDDBAGQ-SMPUWABFSA-N
MW2156.68 g/mol
LogP20.18
Rot. Bonds20

About 1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 158254822) has the molecular formula C124H145F3N24O8 and a molecular weight of 2156.68 g/mol. Its IUPAC name is 1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID158254822
Molecular FormulaC124H145F3N24O8
Molecular Weight2156.68 g/mol
Exact Mass2155.16
IUPAC Name1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(N(C)c4cc5ccncc5cc4F)n3)ccc12.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCOC4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCC[C@@H]4O)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C42H47FN8O2.2C41H49FN8O3/c1-26(2)50-25-45-36-23-35(46-40(39(36)50)47(4)38-19-28-10-13-44-24-30(28)18-34(38)43)29-8-9-33-37(20-29)51(32-21-31(22-32)49-14-6-5-7-15-49)41(53)42(33)11-16-48(17-12-42)27(3)52;1-25(2)49-24-44-34-20-33(46-37(36(34)49)45-32-7-12-43-21-31(32)42)26-5-6-30-35(17-26)50(29-18-28(19-29)48-13-9-40(3,4)23-48)39(52)41(30)10-14-47(15-11-41)38(51)27-8-16-53-22-27;1-25(2)49-24-44-34-22-33(46-38(37(34)49)45-32-11-14-43-23-31(32)42)26-9-10-30-35(19-26)50(28-20-27(21-28)47-15-4-3-5-16-47)40(53)41(30)12-17-48(18-13-41)39(52)29-7-6-8-36(29)51/h8-10,13,18-20,23-26,31-32H,5-7,11-12,14-17,21-22H2,1-4H3;5-7,12,17,20-21,24-25,27-29H,8-11,13-16,18-19,22-23H2,1-4H3,(H,43,45,46);9-11,14,19,22-25,27-29,36,51H,3-8,12-13,15-18,20-21H2,1-2H3,(H,43,45,46)/t;27-,28?,29?;27?,28?,29-,36+/m.11/s1
InChIKeyGHDPKPDJDDBAGQ-SMPUWABFSA-N
XLogP20.18
TPSA319.14 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.68
LogP ≤ 520.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one with MolForge

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Related Compounds

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CID 146639990
US11071730, Example 17
CID 146639997
US11071730, Example 23
CID 146639998
US11071730, Example 156
CID 146640015
US11071730, Example 16
CID 146640025
US11071730, Example 18
CID 146640029
US11071730, Example 103
CID 146640052
US11071730, Example 7
CID 146640068
US11071730, Example 10
CID 146640360
US11071730, Example 109
CID 162396152
US11071730, Example 163
CID 162396158

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (CID 158254822) is 1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is CC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(N(C)c4cc5ccncc5cc4F)n3)ccc12.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCOC4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCC[C@@H]4O)CC3)nc(Nc3ccncc3F)c21.
What is the InChIKey of 1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is GHDPKPDJDDBAGQ-SMPUWABFSA-N. The full InChI is InChI=1S/C42H47FN8O2.2C41H49FN8O3/c1-26(2)50-25-45-36-23-35(46-40(39(36)50)47(4)38-19-28-10-13-44-24-30(28)18-34(38)43)29-8-9-33-37(20-29)51(32-21-31(22-32)49-14-6-5-7-15-49)41(53)42(33)11-16-48(17-12-42)27(3)52;1-25(2)49-24-44-34-20-33(46-37(36(34)49)45-32-7-12-43-21-31(32)42)26-5-6-30-35(17-26)50(29-18-28(19-29)48-13-9-40(3,4)23-48)39(52)41(30)10-14-47(15-11-41)38(51)27-8-16-53-22-27;1-25(2)49-24-44-34-22-33(46-38(37(34)49)45-32-11-14-43-23-31(32)42)26-9-10-30-35(19-26)50(28-20-27(21-28)47-15-4-3-5-16-47)40(53)41(30)12-17-48(18-13-41)39(52)29-7-6-8-36(29)51/h8-10,13,18-20,23-26,31-32H,5-7,11-12,14-17,21-22H2,1-4H3;5-7,12,17,20-21,24-25,27-29H,8-11,13-16,18-19,22-23H2,1-4H3,(H,43,45,46);9-11,14,19,22-25,27-29,36,51H,3-8,12-13,15-18,20-21H2,1-2H3,(H,43,45,46)/t;27-,28?,29?;27?,28?,29-,36+/m.11/s1.
What are the key properties of 1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 2156.68 g/mol, XLogP of 20.18, 20 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-6-[4-[(7-fluoroisoquinolin-6-yl)-methylamino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-oxolane-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one;6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(1R,2S)-2-hydroxycyclopentanecarbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 158254822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).