6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one

C38H45FN8O2 — CID 146592380

IUPAC6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one
SMILESCCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccncc4F)n3)ccc12
InChIInChI=1S/C38H45FN8O2/c1-4-34(48)45-16-11-38(12-17-45)28-9-8-25(18-33(28)47(37(38)49)27-19-26(20-27)44-14-6-5-7-15-44)31-21-32-35(46(23-41-32)24(2)3)36(43-31)42-30-10-13-40-22-29(30)39/h8-10,13,18,21-24,26-27H,4-7,11-12,14-17,19-20H2,1-3H3,(H,40,42,43)
InChIKeyDHEKIPPGBVPLOO-UHFFFAOYSA-N
MW664.83 g/mol
LogP6.59
Rot. Bonds7

About 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one

6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 146592380) has the molecular formula C38H45FN8O2 and a molecular weight of 664.83 g/mol. Its IUPAC name is 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one
PubChem CID146592380
Molecular FormulaC38H45FN8O2
Molecular Weight664.83 g/mol
Exact Mass664.36
IUPAC Name6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one
SMILESCCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccncc4F)n3)ccc12
InChIInChI=1S/C38H45FN8O2/c1-4-34(48)45-16-11-38(12-17-45)28-9-8-25(18-33(28)47(37(38)49)27-19-26(20-27)44-14-6-5-7-15-44)31-21-32-35(46(23-41-32)24(2)3)36(43-31)42-30-10-13-40-22-29(30)39/h8-10,13,18,21-24,26-27H,4-7,11-12,14-17,19-20H2,1-3H3,(H,40,42,43)
InChIKeyDHEKIPPGBVPLOO-UHFFFAOYSA-N
XLogP6.59
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.83
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one (CID 146592380) is 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one is CCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccncc4F)n3)ccc12.
What is the InChIKey of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is DHEKIPPGBVPLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45FN8O2/c1-4-34(48)45-16-11-38(12-17-45)28-9-8-25(18-33(28)47(37(38)49)27-19-26(20-27)44-14-6-5-7-15-44)31-21-32-35(46(23-41-32)24(2)3)36(43-31)42-30-10-13-40-22-29(30)39/h8-10,13,18,21-24,26-27H,4-7,11-12,14-17,19-20H2,1-3H3,(H,40,42,43).
What are the key properties of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one?
6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 664.83 g/mol, XLogP of 6.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146592380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).