N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide

C24H38N4O2 — CID 71136722

IUPACN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide
SMILESCn1c2c(n(CC(C)(C)C)c1=O)=CCC(C1CCC(C)(C)C(NC(=O)C3CC3)C1)N=2
InChIInChI=1S/C24H38N4O2/c1-23(2,3)14-28-18-10-9-17(25-20(18)27(6)22(28)30)16-11-12-24(4,5)19(13-16)26-21(29)15-7-8-15/h10,15-17,19H,7-9,11-14H2,1-6H3,(H,26,29)
InChIKeyDIVIXINSHBRUIJ-UHFFFAOYSA-N
MW414.59 g/mol
LogP2.13
Rot. Bonds4

About N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide

N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide (PubChem CID 71136722) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide
PubChem CID71136722
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide
SMILESCn1c2c(n(CC(C)(C)C)c1=O)=CCC(C1CCC(C)(C)C(NC(=O)C3CC3)C1)N=2
InChIInChI=1S/C24H38N4O2/c1-23(2,3)14-28-18-10-9-17(25-20(18)27(6)22(28)30)16-11-12-24(4,5)19(13-16)26-21(29)15-7-8-15/h10,15-17,19H,7-9,11-14H2,1-6H3,(H,26,29)
InChIKeyDIVIXINSHBRUIJ-UHFFFAOYSA-N
XLogP2.13
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide (CID 71136722) is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide is Cn1c2c(n(CC(C)(C)C)c1=O)=CCC(C1CCC(C)(C)C(NC(=O)C3CC3)C1)N=2.
What is the InChIKey of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide?
The InChIKey is DIVIXINSHBRUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-23(2,3)14-28-18-10-9-17(25-20(18)27(6)22(28)30)16-11-12-24(4,5)19(13-16)26-21(29)15-7-8-15/h10,15-17,19H,7-9,11-14H2,1-6H3,(H,26,29).
What are the key properties of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide?
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide has a molecular weight of 414.59 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 71136722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).