[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone

C19H24N6O2 — CID 45248538

IUPAC[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccn2cc(C(=O)N3CCC(Cn4cc(C(C)O)nn4)CC3)nc2c1
InChIInChI=1S/C19H24N6O2/c1-13-3-6-24-11-17(20-18(24)9-13)19(27)23-7-4-15(5-8-23)10-25-12-16(14(2)26)21-22-25/h3,6,9,11-12,14-15,26H,4-5,7-8,10H2,1-2H3
InChIKeyJZPIYEZGKAEMQC-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.84
Rot. Bonds4

About [4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone

[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 45248538) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID45248538
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccn2cc(C(=O)N3CCC(Cn4cc(C(C)O)nn4)CC3)nc2c1
InChIInChI=1S/C19H24N6O2/c1-13-3-6-24-11-17(20-18(24)9-13)19(27)23-7-4-15(5-8-23)10-25-12-16(14(2)26)21-22-25/h3,6,9,11-12,14-15,26H,4-5,7-8,10H2,1-2H3
InChIKeyJZPIYEZGKAEMQC-UHFFFAOYSA-N
XLogP1.84
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 45248538) is [4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1ccn2cc(C(=O)N3CCC(Cn4cc(C(C)O)nn4)CC3)nc2c1.
What is the InChIKey of [4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is JZPIYEZGKAEMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13-3-6-24-11-17(20-18(24)9-13)19(27)23-7-4-15(5-8-23)10-25-12-16(14(2)26)21-22-25/h3,6,9,11-12,14-15,26H,4-5,7-8,10H2,1-2H3.
What are the key properties of [4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 368.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 45248538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).