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

C25H40N4O3 — CID 71136650

IUPACN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]oxolane-3-carboxamide
SMILESCn1c2c(n(CC(C)(C)C)c1=O)=CCC(C1CCC(C)(C)C(NC(=O)C3CCOC3)C1)N=2
InChIInChI=1S/C25H40N4O3/c1-24(2,3)15-29-19-8-7-18(26-21(19)28(6)23(29)31)16-9-11-25(4,5)20(13-16)27-22(30)17-10-12-32-14-17/h8,16-18,20H,7,9-15H2,1-6H3,(H,27,30)
InChIKeyMQTJWQDDNLPFPN-UHFFFAOYSA-N
MW444.62 g/mol
LogP1.75
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]oxolane-3-carboxamide

N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]oxolane-3-carboxamide (PubChem CID 71136650) has the molecular formula C25H40N4O3 and a molecular weight of 444.62 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]oxolane-3-carboxamide.

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]oxolane-3-carboxamide
PubChem CID71136650
Molecular FormulaC25H40N4O3
Molecular Weight444.62 g/mol
Exact Mass444.31
IUPAC NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]oxolane-3-carboxamide
SMILESCn1c2c(n(CC(C)(C)C)c1=O)=CCC(C1CCC(C)(C)C(NC(=O)C3CCOC3)C1)N=2
InChIInChI=1S/C25H40N4O3/c1-24(2,3)15-29-19-8-7-18(26-21(19)28(6)23(29)31)16-9-11-25(4,5)20(13-16)27-22(30)17-10-12-32-14-17/h8,16-18,20H,7,9-15H2,1-6H3,(H,27,30)
InChIKeyMQTJWQDDNLPFPN-UHFFFAOYSA-N
XLogP1.75
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]oxolane-3-carboxamide?
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]oxolane-3-carboxamide (CID 71136650) is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]oxolane-3-carboxamide.
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]oxolane-3-carboxamide?
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]oxolane-3-carboxamide is Cn1c2c(n(CC(C)(C)C)c1=O)=CCC(C1CCC(C)(C)C(NC(=O)C3CCOC3)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]oxolane-3-carboxamide?
The InChIKey is MQTJWQDDNLPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3/c1-24(2,3)15-29-19-8-7-18(26-21(19)28(6)23(29)31)16-9-11-25(4,5)20(13-16)27-22(30)17-10-12-32-14-17/h8,16-18,20H,7,9-15H2,1-6H3,(H,27,30).
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]oxolane-3-carboxamide?
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]oxolane-3-carboxamide has a molecular weight of 444.62 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]oxolane-3-carboxamide is sourced from PubChem (CID 71136650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).