[3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone

C18H22N6O2 — CID 45240347

IUPAC[3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccn2cc(C(=O)N3CCCC(Cn4cc(CO)nn4)C3)nc2c1
InChIInChI=1S/C18H22N6O2/c1-13-4-6-22-11-16(19-17(22)7-13)18(26)23-5-2-3-14(8-23)9-24-10-15(12-25)20-21-24/h4,6-7,10-11,14,25H,2-3,5,8-9,12H2,1H3
InChIKeyNKUCGDCKPLZCTB-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.28
Rot. Bonds4

About [3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone

[3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 45240347) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is [3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID45240347
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name[3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccn2cc(C(=O)N3CCCC(Cn4cc(CO)nn4)C3)nc2c1
InChIInChI=1S/C18H22N6O2/c1-13-4-6-22-11-16(19-17(22)7-13)18(26)23-5-2-3-14(8-23)9-24-10-15(12-25)20-21-24/h4,6-7,10-11,14,25H,2-3,5,8-9,12H2,1H3
InChIKeyNKUCGDCKPLZCTB-UHFFFAOYSA-N
XLogP1.28
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 45240347) is [3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1ccn2cc(C(=O)N3CCCC(Cn4cc(CO)nn4)C3)nc2c1.
What is the InChIKey of [3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is NKUCGDCKPLZCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-13-4-6-22-11-16(19-17(22)7-13)18(26)23-5-2-3-14(8-23)9-24-10-15(12-25)20-21-24/h4,6-7,10-11,14,25H,2-3,5,8-9,12H2,1H3.
What are the key properties of [3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 354.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 45240347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).