N-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

C33H38N10O2 — CID 137392845

IUPACN-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(CC(=O)Nc1nc2ccc(C#N)nc2n1C1CCC1)CC1CC(n2c(NC(=O)CC(C)(C)C)nc3ccc(C#N)nc32)C1
InChIInChI=1S/C33H38N10O2/c1-19(13-27(44)40-31-38-25-10-8-21(17-34)36-29(25)42(31)23-6-5-7-23)12-20-14-24(15-20)43-30-26(11-9-22(18-35)37-30)39-32(43)41-28(45)16-33(2,3)4/h8-11,19-20,23-24H,5-7,12-16H2,1-4H3,(H,38,40,44)(H,39,41,45)
InChIKeyQNBKANUCLQICSP-UHFFFAOYSA-N
MW606.74 g/mol
LogP6.03
Rot. Bonds9

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

N-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 137392845) has the molecular formula C33H38N10O2 and a molecular weight of 606.74 g/mol. Its IUPAC name is N-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
PubChem CID137392845
Molecular FormulaC33H38N10O2
Molecular Weight606.74 g/mol
Exact Mass606.32
IUPAC NameN-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(CC(=O)Nc1nc2ccc(C#N)nc2n1C1CCC1)CC1CC(n2c(NC(=O)CC(C)(C)C)nc3ccc(C#N)nc32)C1
InChIInChI=1S/C33H38N10O2/c1-19(13-27(44)40-31-38-25-10-8-21(17-34)36-29(25)42(31)23-6-5-7-23)12-20-14-24(15-20)43-30-26(11-9-22(18-35)37-30)39-32(43)41-28(45)16-33(2,3)4/h8-11,19-20,23-24H,5-7,12-16H2,1-4H3,(H,38,40,44)(H,39,41,45)
InChIKeyQNBKANUCLQICSP-UHFFFAOYSA-N
XLogP6.03
TPSA167.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.74
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide
CID 86290304
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclohexylacetamide
CID 86290305
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-phenylpropanamide
CID 86290307
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)acetamide
CID 86290309
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide
CID 90447804
N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide
CID 90447826
3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 90447899
N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide
CID 90448044
N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 90448059
(3R)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide
CID 90448064
(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide
CID 90448065
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopentylacetamide
CID 90448068

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (CID 137392845) is N-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is CC(CC(=O)Nc1nc2ccc(C#N)nc2n1C1CCC1)CC1CC(n2c(NC(=O)CC(C)(C)C)nc3ccc(C#N)nc32)C1.
What is the InChIKey of N-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is QNBKANUCLQICSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N10O2/c1-19(13-27(44)40-31-38-25-10-8-21(17-34)36-29(25)42(31)23-6-5-7-23)12-20-14-24(15-20)43-30-26(11-9-22(18-35)37-30)39-32(43)41-28(45)16-33(2,3)4/h8-11,19-20,23-24H,5-7,12-16H2,1-4H3,(H,38,40,44)(H,39,41,45).
What are the key properties of N-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
N-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 606.74 g/mol, XLogP of 6.03, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 137392845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).