N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

C19H24N6O2 — CID 91762851

IUPACN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)Cc2cnc3c(C)cccn23)C1
InChIInChI=1S/C19H24N6O2/c1-3-24-16(11-26)22-23-19(24)13-7-14(8-13)21-17(27)9-15-10-20-18-12(2)5-4-6-25(15)18/h4-6,10,13-14,26H,3,7-9,11H2,1-2H3,(H,21,27)
InChIKeyVDSPRMSRAAUWJY-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.35
Rot. Bonds6

About N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 91762851) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID91762851
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)Cc2cnc3c(C)cccn23)C1
InChIInChI=1S/C19H24N6O2/c1-3-24-16(11-26)22-23-19(24)13-7-14(8-13)21-17(27)9-15-10-20-18-12(2)5-4-6-25(15)18/h4-6,10,13-14,26H,3,7-9,11H2,1-2H3,(H,21,27)
InChIKeyVDSPRMSRAAUWJY-UHFFFAOYSA-N
XLogP1.35
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 91762851) is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide is CCn1c(CO)nnc1C1CC(NC(=O)Cc2cnc3c(C)cccn23)C1.
What is the InChIKey of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is VDSPRMSRAAUWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-3-24-16(11-26)22-23-19(24)13-7-14(8-13)21-17(27)9-15-10-20-18-12(2)5-4-6-25(15)18/h4-6,10,13-14,26H,3,7-9,11H2,1-2H3,(H,21,27).
What are the key properties of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 91762851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).