1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

C122H143F3N24O9 — CID 157315656

IUPAC1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC6CCC(C6)C5)C3)C(=O)C43CCN(C(=O)C4COC4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)C4(C)CCO4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)CCO4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C41H47FN8O3.C41H49FN8O3.C40H47FN8O3/c1-24(2)49-23-44-35-17-34(46-38(37(35)49)45-33-7-10-43-18-32(33)42)27-5-6-31-36(14-27)50(30-15-29(16-30)48-19-25-3-4-26(13-25)20-48)40(52)41(31)8-11-47(12-9-41)39(51)28-21-53-22-28;1-25(2)49-24-44-33-21-32(46-36(35(33)49)45-31-8-13-43-22-30(31)42)26-6-7-29-34(18-26)50(28-19-27(20-28)48-14-9-39(3,4)23-48)38(52)41(29)10-15-47(16-11-41)37(51)40(5)12-17-53-40;1-25(2)48-24-43-33-22-32(45-36(35(33)48)44-31-9-13-42-23-30(31)41)26-7-8-29-34(19-26)49(28-20-27(21-28)46-14-5-4-6-15-46)38(51)40(29)10-16-47(17-11-40)37(50)39(3)12-18-52-39/h5-7,10,14,17-18,23-26,28-30H,3-4,8-9,11-13,15-16,19-22H2,1-2H3,(H,43,45,46);6-8,13,18,21-22,24-25,27-28H,9-12,14-17,19-20,23H2,1-5H3,(H,43,45,46);7-9,13,19,22-25,27-28H,4-6,10-12,14-18,20-21H2,1-3H3,(H,42,44,45)
InChIKeyBDOFEJKNIWEDFW-UHFFFAOYSA-N
MW2146.64 g/mol
LogP19.04
Rot. Bonds21

About 1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 157315656) has the molecular formula C122H143F3N24O9 and a molecular weight of 2146.64 g/mol. Its IUPAC name is 1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID157315656
Molecular FormulaC122H143F3N24O9
Molecular Weight2146.64 g/mol
Exact Mass2145.14
IUPAC Name1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC6CCC(C6)C5)C3)C(=O)C43CCN(C(=O)C4COC4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)C4(C)CCO4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)CCO4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C41H47FN8O3.C41H49FN8O3.C40H47FN8O3/c1-24(2)49-23-44-35-17-34(46-38(37(35)49)45-33-7-10-43-18-32(33)42)27-5-6-31-36(14-27)50(30-15-29(16-30)48-19-25-3-4-26(13-25)20-48)40(52)41(31)8-11-47(12-9-41)39(51)28-21-53-22-28;1-25(2)49-24-44-33-21-32(46-36(35(33)49)45-31-8-13-43-22-30(31)42)26-6-7-29-34(18-26)50(28-19-27(20-28)48-14-9-39(3,4)23-48)38(52)41(29)10-15-47(16-11-41)37(51)40(5)12-17-53-40;1-25(2)48-24-43-33-22-32(45-36(35(33)48)44-31-9-13-42-23-30(31)41)26-7-8-29-34(19-26)49(28-20-27(21-28)46-14-5-4-6-15-46)38(51)40(29)10-16-47(17-11-40)37(50)39(3)12-18-52-39/h5-7,10,14,17-18,23-26,28-30H,3-4,8-9,11-13,15-16,19-22H2,1-2H3,(H,43,45,46);6-8,13,18,21-22,24-25,27-28H,9-12,14-17,19-20,23H2,1-5H3,(H,43,45,46);7-9,13,19,22-25,27-28H,4-6,10-12,14-18,20-21H2,1-3H3,(H,42,44,45)
InChIKeyBDOFEJKNIWEDFW-UHFFFAOYSA-N
XLogP19.04
TPSA326.16 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002146.64
LogP ≤ 519.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (CID 157315656) is 1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC6CCC(C6)C5)C3)C(=O)C43CCN(C(=O)C4COC4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)C4(C)CCO4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)CCO4)CC3)nc(Nc3ccncc3F)c21.
What is the InChIKey of 1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is BDOFEJKNIWEDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47FN8O3.C41H49FN8O3.C40H47FN8O3/c1-24(2)49-23-44-35-17-34(46-38(37(35)49)45-33-7-10-43-18-32(33)42)27-5-6-31-36(14-27)50(30-15-29(16-30)48-19-25-3-4-26(13-25)20-48)40(52)41(31)8-11-47(12-9-41)39(51)28-21-53-22-28;1-25(2)49-24-44-33-21-32(46-36(35(33)49)45-31-8-13-43-22-30(31)42)26-6-7-29-34(18-26)50(28-19-27(20-28)48-14-9-39(3,4)23-48)38(52)41(29)10-15-47(16-11-41)37(51)40(5)12-17-53-40;1-25(2)48-24-43-33-22-32(45-36(35(33)48)44-31-9-13-42-23-30(31)41)26-7-8-29-34(19-26)49(28-20-27(21-28)46-14-5-4-6-15-46)38(51)40(29)10-16-47(17-11-40)37(50)39(3)12-18-52-39/h5-7,10,14,17-18,23-26,28-30H,3-4,8-9,11-13,15-16,19-22H2,1-2H3,(H,43,45,46);6-8,13,18,21-22,24-25,27-28H,9-12,14-17,19-20,23H2,1-5H3,(H,43,45,46);7-9,13,19,22-25,27-28H,4-6,10-12,14-18,20-21H2,1-3H3,(H,42,44,45).
What are the key properties of 1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 2146.64 g/mol, XLogP of 19.04, 21 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)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'-(2-methyloxetane-2-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'-(2-methyloxetane-2-carbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 157315656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).