cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

C18H24N4O — CID 83272928

IUPACcyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)n1c(C2CCN(C(=O)C3CCC3)C2)nc2ccncc21
InChIInChI=1S/C18H24N4O/c1-12(2)22-16-10-19-8-6-15(16)20-17(22)14-7-9-21(11-14)18(23)13-4-3-5-13/h6,8,10,12-14H,3-5,7,9,11H2,1-2H3
InChIKeyLLVSRPRRIDJRLS-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.13
Rot. Bonds3

About cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 83272928) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID83272928
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Namecyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)n1c(C2CCN(C(=O)C3CCC3)C2)nc2ccncc21
InChIInChI=1S/C18H24N4O/c1-12(2)22-16-10-19-8-6-15(16)20-17(22)14-7-9-21(11-14)18(23)13-4-3-5-13/h6,8,10,12-14H,3-5,7,9,11H2,1-2H3
InChIKeyLLVSRPRRIDJRLS-UHFFFAOYSA-N
XLogP3.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 83272928) is cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is CC(C)n1c(C2CCN(C(=O)C3CCC3)C2)nc2ccncc21.
What is the InChIKey of cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LLVSRPRRIDJRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)22-16-10-19-8-6-15(16)20-17(22)14-7-9-21(11-14)18(23)13-4-3-5-13/h6,8,10,12-14H,3-5,7,9,11H2,1-2H3.
What are the key properties of cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 312.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 83272928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).