[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

C18H22N6O2 — CID 128981869

IUPAC[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESCC(C)n1cc(C2(O)CCCN(C(=O)c3ccc4nccn4c3)C2)nn1
InChIInChI=1S/C18H22N6O2/c1-13(2)24-11-15(20-21-24)18(26)6-3-8-23(12-18)17(25)14-4-5-16-19-7-9-22(16)10-14/h4-5,7,9-11,13,26H,3,6,8,12H2,1-2H3
InChIKeyDWWGCJYWZJOEOV-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.63
Rot. Bonds3

About [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (PubChem CID 128981869) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
PubChem CID128981869
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESCC(C)n1cc(C2(O)CCCN(C(=O)c3ccc4nccn4c3)C2)nn1
InChIInChI=1S/C18H22N6O2/c1-13(2)24-11-15(20-21-24)18(26)6-3-8-23(12-18)17(25)14-4-5-16-19-7-9-22(16)10-14/h4-5,7,9-11,13,26H,3,6,8,12H2,1-2H3
InChIKeyDWWGCJYWZJOEOV-UHFFFAOYSA-N
XLogP1.63
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (CID 128981869) is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.
What is the SMILES notation for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The canonical SMILES for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is CC(C)n1cc(C2(O)CCCN(C(=O)c3ccc4nccn4c3)C2)nn1.
What is the InChIKey of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The InChIKey is DWWGCJYWZJOEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-13(2)24-11-15(20-21-24)18(26)6-3-8-23(12-18)17(25)14-4-5-16-19-7-9-22(16)10-14/h4-5,7,9-11,13,26H,3,6,8,12H2,1-2H3.
What are the key properties of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone has a molecular weight of 354.41 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is sourced from PubChem (CID 128981869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).