tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

C71H87ClFN13O4 — CID 175902699

IUPACtert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)OC(C)(C)C)CC3)nc(Cl)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCNCC3)nc(Nc3ccccc3F)c21
InChIInChI=1S/C36H42FN7O.C35H45ClN6O3/c1-23(2)43-22-39-31-21-30(41-34(33(31)43)40-29-9-5-4-8-28(29)37)24-10-11-27-32(18-24)44(35(45)36(27)12-14-38-15-13-36)26-19-25(20-26)42-16-6-3-7-17-42;1-22(2)41-21-37-28-20-27(38-31(36)30(28)41)23-9-10-26-29(17-23)42(25-18-24(19-25)39-13-7-6-8-14-39)32(43)35(26)11-15-40(16-12-35)33(44)45-34(3,4)5/h4-5,8-11,18,21-23,25-26,38H,3,6-7,12-17,19-20H2,1-2H3,(H,40,41);9-10,17,20-22,24-25H,6-8,11-16,18-19H2,1-5H3
InChIKeyYNMFZQZTWJLCFR-UHFFFAOYSA-N
MW1241.01 g/mol
LogP13.51
Rot. Bonds10

About tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 175902699) has the molecular formula C71H87ClFN13O4 and a molecular weight of 1241.01 g/mol. Its IUPAC name is tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Nametert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID175902699
Molecular FormulaC71H87ClFN13O4
Molecular Weight1241.01 g/mol
Exact Mass1239.67
IUPAC Nametert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)OC(C)(C)C)CC3)nc(Cl)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCNCC3)nc(Nc3ccccc3F)c21
InChIInChI=1S/C36H42FN7O.C35H45ClN6O3/c1-23(2)43-22-39-31-21-30(41-34(33(31)43)40-29-9-5-4-8-28(29)37)24-10-11-27-32(18-24)44(35(45)36(27)12-14-38-15-13-36)26-19-25(20-26)42-16-6-3-7-17-42;1-22(2)41-21-37-28-20-27(38-31(36)30(28)41)23-9-10-26-29(17-23)42(25-18-24(19-25)39-13-7-6-8-14-39)32(43)35(26)11-15-40(16-12-35)33(44)45-34(3,4)5/h4-5,8-11,18,21-23,25-26,38H,3,6-7,12-17,19-20H2,1-2H3,(H,40,41);9-10,17,20-22,24-25H,6-8,11-16,18-19H2,1-5H3
InChIKeyYNMFZQZTWJLCFR-UHFFFAOYSA-N
XLogP13.51
TPSA162.12 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001241.01
LogP ≤ 513.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 146592351
1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
CID 146592366
(3R)-3-[1-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione
CID 175902854
6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
CID 168881709
6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(2R)-2-methoxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
CID 146640098
6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
CID 146592452
2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione
CID 168882375
3-[6-[4-[(1R,5R,6R)-6-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 168882687
4-fluoro-2-methyl-5-[[6-[1'-[4-[methyl(piperidin-4-yl)amino]benzoyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide
CID 175871788
1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]spiro[indole-3,4'-piperidine]-2-one
CID 146639974
6-[4-(oxan-4-ylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-[(3R)-pyrrolidine-3-carbonyl]spiro[indole-3,4'-piperidine]-2-one
CID 174167101
2-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-yl]propanoic acid
CID 168882117

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (CID 175902699) is tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)OC(C)(C)C)CC3)nc(Cl)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCNCC3)nc(Nc3ccccc3F)c21.
What is the InChIKey of tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is YNMFZQZTWJLCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42FN7O.C35H45ClN6O3/c1-23(2)43-22-39-31-21-30(41-34(33(31)43)40-29-9-5-4-8-28(29)37)24-10-11-27-32(18-24)44(35(45)36(27)12-14-38-15-13-36)26-19-25(20-26)42-16-6-3-7-17-42;1-22(2)41-21-37-28-20-27(38-31(36)30(28)41)23-9-10-26-29(17-23)42(25-18-24(19-25)39-13-7-6-8-14-39)32(43)35(26)11-15-40(16-12-35)33(44)45-34(3,4)5/h4-5,8-11,18,21-23,25-26,38H,3,6-7,12-17,19-20H2,1-2H3,(H,40,41);9-10,17,20-22,24-25H,6-8,11-16,18-19H2,1-5H3.
What are the key properties of tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 1241.01 g/mol, XLogP of 13.51, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 175902699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).