1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one

C114H133F3N24O7 — CID 157457599

IUPAC1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CC4CC4C3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccncc4F)n3)ccc12.CC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCC4(CC4)C3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccncc4F)n3)ccc12.COC(C)(C)CN(C)C1CC(N2C(=O)C3(CCN(C(C)=O)CC3)c3ccc(-c4cc5ncn(C(C)C)c5c(Nc5ccncc5F)n4)cc32)C1
InChIInChI=1S/C39H45FN8O2.C38H47FN8O3.C37H41FN8O2/c1-24(2)47-23-42-33-20-32(44-36(35(33)47)43-31-7-13-41-21-30(31)40)26-5-6-29-34(17-26)48(37(50)39(29)11-15-45(16-12-39)25(3)49)28-18-27(19-28)46-14-4-8-38(22-46)9-10-38;1-23(2)46-22-41-32-19-31(43-35(34(32)46)42-30-10-13-40-20-29(30)39)25-8-9-28-33(16-25)47(27-17-26(18-27)44(6)21-37(4,5)50-7)36(49)38(28)11-14-45(15-12-38)24(3)48;1-21(2)45-20-40-32-16-31(42-35(34(32)45)41-30-6-9-39-17-29(30)38)23-4-5-28-33(13-23)46(27-14-26(15-27)44-18-24-12-25(24)19-44)36(48)37(28)7-10-43(11-8-37)22(3)47/h5-7,13,17,20-21,23-24,27-28H,4,8-12,14-16,18-19,22H2,1-3H3,(H,41,43,44);8-10,13,16,19-20,22-23,26-27H,11-12,14-15,17-18,21H2,1-7H3,(H,40,42,43);4-6,9,13,16-17,20-21,24-27H,7-8,10-12,14-15,18-19H2,1-3H3,(H,39,41,42)
InChIKeyBTNVNWABGOKGAK-UHFFFAOYSA-N
MW2008.47 g/mol
LogP18.33
Rot. Bonds21

About 1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one

1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 157457599) has the molecular formula C114H133F3N24O7 and a molecular weight of 2008.47 g/mol. Its IUPAC name is 1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID157457599
Molecular FormulaC114H133F3N24O7
Molecular Weight2008.47 g/mol
Exact Mass2007.07
IUPAC Name1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CC4CC4C3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccncc4F)n3)ccc12.CC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCC4(CC4)C3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccncc4F)n3)ccc12.COC(C)(C)CN(C)C1CC(N2C(=O)C3(CCN(C(C)=O)CC3)c3ccc(-c4cc5ncn(C(C)C)c5c(Nc5ccncc5F)n4)cc32)C1
InChIInChI=1S/C39H45FN8O2.C38H47FN8O3.C37H41FN8O2/c1-24(2)47-23-42-33-20-32(44-36(35(33)47)43-31-7-13-41-21-30(31)40)26-5-6-29-34(17-26)48(37(50)39(29)11-15-45(16-12-39)25(3)49)28-18-27(19-28)46-14-4-8-38(22-46)9-10-38;1-23(2)46-22-41-32-19-31(43-35(34(32)46)42-30-10-13-40-20-29(30)39)25-8-9-28-33(16-25)47(27-17-26(18-27)44(6)21-37(4,5)50-7)36(49)38(28)11-14-45(15-12-38)24(3)48;1-21(2)45-20-40-32-16-31(42-35(34(32)45)41-30-6-9-39-17-29(30)38)23-4-5-28-33(13-23)46(27-14-26(15-27)44-18-24-12-25(24)19-44)36(48)37(28)7-10-43(11-8-37)22(3)47/h5-7,13,17,20-21,23-24,27-28H,4,8-12,14-16,18-19,22H2,1-3H3,(H,41,43,44);8-10,13,16,19-20,22-23,26-27H,11-12,14-15,17-18,21H2,1-7H3,(H,40,42,43);4-6,9,13,16-17,20-21,24-27H,7-8,10-12,14-15,18-19H2,1-3H3,(H,39,41,42)
InChIKeyBTNVNWABGOKGAK-UHFFFAOYSA-N
XLogP18.33
TPSA307.70 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002008.47
LogP ≤ 518.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one with MolForge

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Related Compounds

US11071730, Example 174
CID 146592350
US11071730, Example 67
CID 146592363
US11071730, Example 19A
CID 146592371
US11071730, Example 15B
CID 146592378
US11071730, Example 167
CID 146592380
US11071730, Example 1
CID 146592388
US11071730, Example 177
CID 146592405
US11071730, Example 37
CID 146592414
US11071730, Example 20B
CID 146592416
US11071730, Example 19B
CID 146592423
US11071730, Example 136
CID 146592431
US11071730, Example 91
CID 146592437

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one (CID 157457599) is 1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one is CC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CC4CC4C3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccncc4F)n3)ccc12.CC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCC4(CC4)C3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccncc4F)n3)ccc12.COC(C)(C)CN(C)C1CC(N2C(=O)C3(CCN(C(C)=O)CC3)c3ccc(-c4cc5ncn(C(C)C)c5c(Nc5ccncc5F)n4)cc32)C1.
What is the InChIKey of 1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is BTNVNWABGOKGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45FN8O2.C38H47FN8O3.C37H41FN8O2/c1-24(2)47-23-42-33-20-32(44-36(35(33)47)43-31-7-13-41-21-30(31)40)26-5-6-29-34(17-26)48(37(50)39(29)11-15-45(16-12-39)25(3)49)28-18-27(19-28)46-14-4-8-38(22-46)9-10-38;1-23(2)46-22-41-32-19-31(43-35(34(32)46)42-30-10-13-40-20-29(30)39)25-8-9-28-33(16-25)47(27-17-26(18-27)44(6)21-37(4,5)50-7)36(49)38(28)11-14-45(15-12-38)24(3)48;1-21(2)45-20-40-32-16-31(42-35(34(32)45)41-30-6-9-39-17-29(30)38)23-4-5-28-33(13-23)46(27-14-26(15-27)44-18-24-12-25(24)19-44)36(48)37(28)7-10-43(11-8-37)22(3)47/h5-7,13,17,20-21,23-24,27-28H,4,8-12,14-16,18-19,22H2,1-3H3,(H,41,43,44);8-10,13,16,19-20,22-23,26-27H,11-12,14-15,17-18,21H2,1-7H3,(H,40,42,43);4-6,9,13,16-17,20-21,24-27H,7-8,10-12,14-15,18-19H2,1-3H3,(H,39,41,42).
What are the key properties of 1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one?
1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 2008.47 g/mol, XLogP of 18.33, 21 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-[3-(5-azaspiro[2.5]octan-5-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(2-methoxy-2-methylpropyl)-methylamino]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 157457599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).