N-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide

C18H25ClN4O2 — CID 90448087

IUPACN-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide
SMILESCC1(C)CCC(CC(=O)Nc2nc3c(n2C2CCC2)=NC(Cl)CC=3)O1
InChIInChI=1S/C18H25ClN4O2/c1-18(2)9-8-12(25-18)10-15(24)22-17-20-13-6-7-14(19)21-16(13)23(17)11-4-3-5-11/h6,11-12,14H,3-5,7-10H2,1-2H3,(H,20,22,24)
InChIKeyKMCDWUZMEALAKT-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.26
Rot. Bonds4

About N-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide

N-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide (PubChem CID 90448087) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is N-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide
PubChem CID90448087
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC NameN-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide
SMILESCC1(C)CCC(CC(=O)Nc2nc3c(n2C2CCC2)=NC(Cl)CC=3)O1
InChIInChI=1S/C18H25ClN4O2/c1-18(2)9-8-12(25-18)10-15(24)22-17-20-13-6-7-14(19)21-16(13)23(17)11-4-3-5-11/h6,11-12,14H,3-5,7-10H2,1-2H3,(H,20,22,24)
InChIKeyKMCDWUZMEALAKT-UHFFFAOYSA-N
XLogP2.26
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide?
The IUPAC name of N-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide (CID 90448087) is N-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide is CC1(C)CCC(CC(=O)Nc2nc3c(n2C2CCC2)=NC(Cl)CC=3)O1.
What is the InChIKey of N-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide?
The InChIKey is KMCDWUZMEALAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-18(2)9-8-12(25-18)10-15(24)22-17-20-13-6-7-14(19)21-16(13)23(17)11-4-3-5-11/h6,11-12,14H,3-5,7-10H2,1-2H3,(H,20,22,24).
What are the key properties of N-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide?
N-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide has a molecular weight of 364.88 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-cyclobutyl-5,6-dihydroimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide is sourced from PubChem (CID 90448087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).