[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid

C17H23N5O3 — CID 118692468

IUPAC[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(NC(=O)O)nc2n1C1CCC1
InChIInChI=1S/C17H23N5O3/c1-17(2,3)9-13(23)21-15-18-11-7-8-12(20-16(24)25)19-14(11)22(15)10-5-4-6-10/h7-8,10H,4-6,9H2,1-3H3,(H,19,20)(H,24,25)(H,18,21,23)
InChIKeyZBQZVBFPNKZTLP-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.62
Rot. Bonds4

About [3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid

[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid (PubChem CID 118692468) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid.

Molecular Properties

Compound Name[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid
PubChem CID118692468
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(NC(=O)O)nc2n1C1CCC1
InChIInChI=1S/C17H23N5O3/c1-17(2,3)9-13(23)21-15-18-11-7-8-12(20-16(24)25)19-14(11)22(15)10-5-4-6-10/h7-8,10H,4-6,9H2,1-3H3,(H,19,20)(H,24,25)(H,18,21,23)
InChIKeyZBQZVBFPNKZTLP-UHFFFAOYSA-N
XLogP3.62
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid?
The IUPAC name of [3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid (CID 118692468) is [3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid.
What is the SMILES notation for [3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid?
The canonical SMILES for [3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid is CC(C)(C)CC(=O)Nc1nc2ccc(NC(=O)O)nc2n1C1CCC1.
What is the InChIKey of [3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid?
The InChIKey is ZBQZVBFPNKZTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-17(2,3)9-13(23)21-15-18-11-7-8-12(20-16(24)25)19-14(11)22(15)10-5-4-6-10/h7-8,10H,4-6,9H2,1-3H3,(H,19,20)(H,24,25)(H,18,21,23).
What are the key properties of [3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid?
[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid has a molecular weight of 345.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid is sourced from PubChem (CID 118692468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).