[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

C18H17ClN4O — CID 166616000

IUPAC[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2ncnn2c1)N1CCC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H17ClN4O/c19-16-4-1-13(2-5-16)9-14-7-8-22(10-14)18(24)15-3-6-17-20-12-21-23(17)11-15/h1-6,11-12,14H,7-10H2
InChIKeyJBSGNYCCNXKXFC-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.09
Rot. Bonds3

About [3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 166616000) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID166616000
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2ncnn2c1)N1CCC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H17ClN4O/c19-16-4-1-13(2-5-16)9-14-7-8-22(10-14)18(24)15-3-6-17-20-12-21-23(17)11-15/h1-6,11-12,14H,7-10H2
InChIKeyJBSGNYCCNXKXFC-UHFFFAOYSA-N
XLogP3.09
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of [3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (CID 166616000) is [3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for [3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for [3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is O=C(c1ccc2ncnn2c1)N1CCC(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of [3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is JBSGNYCCNXKXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-16-4-1-13(2-5-16)9-14-7-8-22(10-14)18(24)15-3-6-17-20-12-21-23(17)11-15/h1-6,11-12,14H,7-10H2.
What are the key properties of [3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 340.81 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 166616000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).