N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide

C26H29N7O2 — CID 67056166

IUPACN-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(N3CC(NC(=O)c4cncnc4)Cc4ccccc43)nc21
InChIInChI=1S/C26H29N7O2/c1-26(2,3)15-33-21-9-10-22(30-23(21)31(4)25(33)35)32-14-19(11-17-7-5-6-8-20(17)32)29-24(34)18-12-27-16-28-13-18/h5-10,12-13,16,19H,11,14-15H2,1-4H3,(H,29,34)
InChIKeyMHSOFYYTWLQTBF-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.06
Rot. Bonds4

About N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide

N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide (PubChem CID 67056166) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide
PubChem CID67056166
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(N3CC(NC(=O)c4cncnc4)Cc4ccccc43)nc21
InChIInChI=1S/C26H29N7O2/c1-26(2,3)15-33-21-9-10-22(30-23(21)31(4)25(33)35)32-14-19(11-17-7-5-6-8-20(17)32)29-24(34)18-12-27-16-28-13-18/h5-10,12-13,16,19H,11,14-15H2,1-4H3,(H,29,34)
InChIKeyMHSOFYYTWLQTBF-UHFFFAOYSA-N
XLogP3.06
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide
CID 67056118
tert-butyl-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]carbamic acid
CID 67056047
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(pyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[4,5-b]pyridin-2-one
CID 75603493
tert-butyl N-[(3R)-1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]carbamate
CID 51037340
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(1H-1,2,4-triazole-5-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]imidazo[4,5-b]pyridin-2-one
CID 51036310
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(5-methyl-1H-imidazole-2-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]imidazo[4,5-b]pyridin-2-one
CID 67056073
1-(2,2-dimethylpropyl)-3-methyl-5-[8-(2-oxo-1H-pyridine-3-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]imidazo[4,5-b]pyridin-2-one
CID 51038868
3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid
CID 135220748
[2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate
CID 67056099
tert-butyl N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]carbamate
CID 71128770
5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71475565
N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110466807

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide (CID 67056166) is N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide is Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CC(NC(=O)c4cncnc4)Cc4ccccc43)nc21.
What is the InChIKey of N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is MHSOFYYTWLQTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-26(2,3)15-33-21-9-10-22(30-23(21)31(4)25(33)35)32-14-19(11-17-7-5-6-8-20(17)32)29-24(34)18-12-27-16-28-13-18/h5-10,12-13,16,19H,11,14-15H2,1-4H3,(H,29,34).
What are the key properties of N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide?
N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 67056166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).