4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide

C41H50FN9O3 — CID 146640042

IUPAC4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4cc(C(=O)NC(C)C)ncc4F)n3)ccc12
InChIInChI=1S/C41H50FN9O3/c1-24(2)45-39(53)35-21-33(31(42)22-43-35)47-38-37-34(44-23-50(37)25(3)4)20-32(46-38)27-9-10-30-36(17-27)51(29-18-28(19-29)49-13-7-6-8-14-49)40(54)41(30)11-15-48(16-12-41)26(5)52/h9-10,17,20-25,28-29H,6-8,11-16,18-19H2,1-5H3,(H,45,53)(H,43,46,47)
InChIKeyMUQQFKCXMMQNAX-UHFFFAOYSA-N
MW735.91 g/mol
LogP6.34
Rot. Bonds8

About 4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide

4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 146640042) has the molecular formula C41H50FN9O3 and a molecular weight of 735.91 g/mol. Its IUPAC name is 4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide
PubChem CID146640042
Molecular FormulaC41H50FN9O3
Molecular Weight735.91 g/mol
Exact Mass735.40
IUPAC Name4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4cc(C(=O)NC(C)C)ncc4F)n3)ccc12
InChIInChI=1S/C41H50FN9O3/c1-24(2)45-39(53)35-21-33(31(42)22-43-35)47-38-37-34(44-23-50(37)25(3)4)20-32(46-38)27-9-10-30-36(17-27)51(29-18-28(19-29)49-13-7-6-8-14-49)40(54)41(30)11-15-48(16-12-41)26(5)52/h9-10,17,20-25,28-29H,6-8,11-16,18-19H2,1-5H3,(H,45,53)(H,43,46,47)
InChIKeyMUQQFKCXMMQNAX-UHFFFAOYSA-N
XLogP6.34
TPSA128.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.91
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide (CID 146640042) is 4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide is CC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4cc(C(=O)NC(C)C)ncc4F)n3)ccc12.
What is the InChIKey of 4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is MUQQFKCXMMQNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50FN9O3/c1-24(2)45-39(53)35-21-33(31(42)22-43-35)47-38-37-34(44-23-50(37)25(3)4)20-32(46-38)27-9-10-30-36(17-27)51(29-18-28(19-29)49-13-7-6-8-14-49)40(54)41(30)11-15-48(16-12-41)26(5)52/h9-10,17,20-25,28-29H,6-8,11-16,18-19H2,1-5H3,(H,45,53)(H,43,46,47).
What are the key properties of 4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide?
4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 735.91 g/mol, XLogP of 6.34, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[1'-acetyl-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]-5-fluoro-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 146640042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).