5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide

C41H47FN8O3 — CID 153244667

IUPAC5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(C)=O)CC3)cc3ncn(C4CC4)c23)c(F)cc1C
InChIInChI=1S/C41H47FN8O3/c1-24-17-32(42)34(21-30(24)39(52)43-3)46-38-37-35(44-23-49(37)27-8-9-27)22-33(45-38)26-7-10-31-36(18-26)50(29-19-28(20-29)48-13-5-4-6-14-48)40(53)41(31)11-15-47(16-12-41)25(2)51/h7,10,17-18,21-23,27-29H,4-6,8-9,11-16,19-20H2,1-3H3,(H,43,52)(H,45,46)
InChIKeyWSDHDCHHAKKOOG-UHFFFAOYSA-N
MW718.88 g/mol
LogP6.23
Rot. Bonds7

About 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide

5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide (PubChem CID 153244667) has the molecular formula C41H47FN8O3 and a molecular weight of 718.88 g/mol. Its IUPAC name is 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide
PubChem CID153244667
Molecular FormulaC41H47FN8O3
Molecular Weight718.88 g/mol
Exact Mass718.38
IUPAC Name5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(C)=O)CC3)cc3ncn(C4CC4)c23)c(F)cc1C
InChIInChI=1S/C41H47FN8O3/c1-24-17-32(42)34(21-30(24)39(52)43-3)46-38-37-35(44-23-49(37)27-8-9-27)22-33(45-38)26-7-10-31-36(18-26)50(29-19-28(20-29)48-13-5-4-6-14-48)40(53)41(31)11-15-47(16-12-41)25(2)51/h7,10,17-18,21-23,27-29H,4-6,8-9,11-16,19-20H2,1-3H3,(H,43,52)(H,45,46)
InChIKeyWSDHDCHHAKKOOG-UHFFFAOYSA-N
XLogP6.23
TPSA115.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.88
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide?
The IUPAC name of 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide (CID 153244667) is 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide.
What is the SMILES notation for 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide?
The canonical SMILES for 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide is CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(C)=O)CC3)cc3ncn(C4CC4)c23)c(F)cc1C.
What is the InChIKey of 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide?
The InChIKey is WSDHDCHHAKKOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47FN8O3/c1-24-17-32(42)34(21-30(24)39(52)43-3)46-38-37-35(44-23-49(37)27-8-9-27)22-33(45-38)26-7-10-31-36(18-26)50(29-19-28(20-29)48-13-5-4-6-14-48)40(53)41(31)11-15-47(16-12-41)25(2)51/h7,10,17-18,21-23,27-29H,4-6,8-9,11-16,19-20H2,1-3H3,(H,43,52)(H,45,46).
What are the key properties of 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide?
5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide has a molecular weight of 718.88 g/mol, XLogP of 6.23, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide is sourced from PubChem (CID 153244667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).