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

C44H55FN8O3 — CID 152876274

IUPAC4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide
SMILESCCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4cc(C(=O)NC(C)C)c(C)cc4F)n3)ccc12
InChIInChI=1S/C44H55FN8O3/c1-7-39(54)51-17-13-44(14-18-51)33-12-11-29(20-38(33)53(43(44)56)31-21-30(22-31)50-15-9-8-10-16-50)35-24-37-40(52(25-46-37)27(4)5)41(48-35)49-36-23-32(28(6)19-34(36)45)42(55)47-26(2)3/h11-12,19-20,23-27,30-31H,7-10,13-18,21-22H2,1-6H3,(H,47,55)(H,48,49)
InChIKeyUAMGHHPGRQFGCT-UHFFFAOYSA-N
MW762.98 g/mol
LogP7.64
Rot. Bonds9

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

4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide (PubChem CID 152876274) has the molecular formula C44H55FN8O3 and a molecular weight of 762.98 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide
PubChem CID152876274
Molecular FormulaC44H55FN8O3
Molecular Weight762.98 g/mol
Exact Mass762.44
IUPAC Name4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide
SMILESCCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4cc(C(=O)NC(C)C)c(C)cc4F)n3)ccc12
InChIInChI=1S/C44H55FN8O3/c1-7-39(54)51-17-13-44(14-18-51)33-12-11-29(20-38(33)53(43(44)56)31-21-30(22-31)50-15-9-8-10-16-50)35-24-37-40(52(25-46-37)27(4)5)41(48-35)49-36-23-32(28(6)19-34(36)45)42(55)47-26(2)3/h11-12,19-20,23-27,30-31H,7-10,13-18,21-22H2,1-6H3,(H,47,55)(H,48,49)
InChIKeyUAMGHHPGRQFGCT-UHFFFAOYSA-N
XLogP7.64
TPSA115.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.98
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide (CID 152876274) is 4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide is CCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4cc(C(=O)NC(C)C)c(C)cc4F)n3)ccc12.
What is the InChIKey of 4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide?
The InChIKey is UAMGHHPGRQFGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H55FN8O3/c1-7-39(54)51-17-13-44(14-18-51)33-12-11-29(20-38(33)53(43(44)56)31-21-30(22-31)50-15-9-8-10-16-50)35-24-37-40(52(25-46-37)27(4)5)41(48-35)49-36-23-32(28(6)19-34(36)45)42(55)47-26(2)3/h11-12,19-20,23-27,30-31H,7-10,13-18,21-22H2,1-6H3,(H,47,55)(H,48,49).
What are the key properties of 4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide?
4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide has a molecular weight of 762.98 g/mol, XLogP of 7.64, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-[[6-[2-oxo-1-(3-piperidin-1-ylcyclobutyl)-1'-propanoylspiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 152876274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).