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

C41H49FN8O3 — CID 146592431

IUPAC6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCOC1CC(C(=O)N2CCC3(CC2)C(=O)N(C2CC(N4CCCCC4)C2)c2cc(-c4cc5ncn(C(C)C)c5c(Nc5ccncc5F)n4)ccc23)C1
InChIInChI=1S/C41H49FN8O3/c1-25(2)49-24-44-35-22-34(46-38(37(35)49)45-33-9-12-43-23-32(33)42)26-7-8-31-36(19-26)50(29-20-28(21-29)47-13-5-4-6-14-47)40(52)41(31)10-15-48(16-11-41)39(51)27-17-30(18-27)53-3/h7-9,12,19,22-25,27-30H,4-6,10-11,13-18,20-21H2,1-3H3,(H,43,45,46)
InChIKeyJMWILZMYXWNHSY-UHFFFAOYSA-N
MW720.89 g/mol
LogP6.61
Rot. Bonds8

About 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)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'-(3-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 146592431) has the molecular formula C41H49FN8O3 and a molecular weight of 720.89 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-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[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-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID146592431
Molecular FormulaC41H49FN8O3
Molecular Weight720.89 g/mol
Exact Mass720.39
IUPAC Name6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCOC1CC(C(=O)N2CCC3(CC2)C(=O)N(C2CC(N4CCCCC4)C2)c2cc(-c4cc5ncn(C(C)C)c5c(Nc5ccncc5F)n4)ccc23)C1
InChIInChI=1S/C41H49FN8O3/c1-25(2)49-24-44-35-22-34(46-38(37(35)49)45-33-9-12-43-23-32(33)42)26-7-8-31-36(19-26)50(29-20-28(21-29)47-13-5-4-6-14-47)40(52)41(31)10-15-48(16-11-41)39(51)27-17-30(18-27)53-3/h7-9,12,19,22-25,27-30H,4-6,10-11,13-18,20-21H2,1-3H3,(H,43,45,46)
InChIKeyJMWILZMYXWNHSY-UHFFFAOYSA-N
XLogP6.61
TPSA108.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.89
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-methoxycyclobutanecarbonyl)-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 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[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-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (CID 146592431) is 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[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-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[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-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is COC1CC(C(=O)N2CCC3(CC2)C(=O)N(C2CC(N4CCCCC4)C2)c2cc(-c4cc5ncn(C(C)C)c5c(Nc5ccncc5F)n4)ccc23)C1.
What is the InChIKey of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is JMWILZMYXWNHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49FN8O3/c1-25(2)49-24-44-35-22-34(46-38(37(35)49)45-33-9-12-43-23-32(33)42)26-7-8-31-36(19-26)50(29-20-28(21-29)47-13-5-4-6-14-47)40(52)41(31)10-15-48(16-11-41)39(51)27-17-30(18-27)53-3/h7-9,12,19,22-25,27-30H,4-6,10-11,13-18,20-21H2,1-3H3,(H,43,45,46).
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-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)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'-(3-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 720.89 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 9 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-methoxycyclobutanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146592431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).