N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

C34H37FN8O2 — CID 123166209

IUPACN-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(-c3cc(CC(=O)Nc4nc5cccnc5n4C4CCC4)ccc3F)nc2n1C1CCC1
InChIInChI=1S/C34H37FN8O2/c1-34(2,3)19-29(45)41-33-39-27-15-14-25(37-31(27)43(33)22-9-5-10-22)23-17-20(12-13-24(23)35)18-28(44)40-32-38-26-11-6-16-36-30(26)42(32)21-7-4-8-21/h6,11-17,21-22H,4-5,7-10,18-19H2,1-3H3,(H,38,40,44)(H,39,41,45)
InChIKeyMPNQXJCEUGWFIS-UHFFFAOYSA-N
MW608.72 g/mol
LogP6.99
Rot. Bonds8

About N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 123166209) has the molecular formula C34H37FN8O2 and a molecular weight of 608.72 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
PubChem CID123166209
Molecular FormulaC34H37FN8O2
Molecular Weight608.72 g/mol
Exact Mass608.30
IUPAC NameN-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(-c3cc(CC(=O)Nc4nc5cccnc5n4C4CCC4)ccc3F)nc2n1C1CCC1
InChIInChI=1S/C34H37FN8O2/c1-34(2,3)19-29(45)41-33-39-27-15-14-25(37-31(27)43(33)22-9-5-10-22)23-17-20(12-13-24(23)35)18-28(44)40-32-38-26-11-6-16-36-30(26)42(32)21-7-4-8-21/h6,11-17,21-22H,4-5,7-10,18-19H2,1-3H3,(H,38,40,44)(H,39,41,45)
InChIKeyMPNQXJCEUGWFIS-UHFFFAOYSA-N
XLogP6.99
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.72
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (CID 123166209) is N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(-c3cc(CC(=O)Nc4nc5cccnc5n4C4CCC4)ccc3F)nc2n1C1CCC1.
What is the InChIKey of N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is MPNQXJCEUGWFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN8O2/c1-34(2,3)19-29(45)41-33-39-27-15-14-25(37-31(27)43(33)22-9-5-10-22)23-17-20(12-13-24(23)35)18-28(44)40-32-38-26-11-6-16-36-30(26)42(32)21-7-4-8-21/h6,11-17,21-22H,4-5,7-10,18-19H2,1-3H3,(H,38,40,44)(H,39,41,45).
What are the key properties of N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 608.72 g/mol, XLogP of 6.99, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclobutyl-5-[5-[2-[(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-oxoethyl]-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 123166209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).