2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol

C18H17FN6O — CID 23158159

IUPAC2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol
SMILESCc1c(-c2ccc3nc(C(C)(C)O)cn3c2)nnn1-c1cccnc1F
InChIInChI=1S/C18H17FN6O/c1-11-16(22-23-25(11)13-5-4-8-20-17(13)19)12-6-7-15-21-14(18(2,3)26)10-24(15)9-12/h4-10,26H,1-3H3
InChIKeyPCHXYFDOPWAJTD-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.65
Rot. Bonds3

About 2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol

2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol (PubChem CID 23158159) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol
PubChem CID23158159
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol
SMILESCc1c(-c2ccc3nc(C(C)(C)O)cn3c2)nnn1-c1cccnc1F
InChIInChI=1S/C18H17FN6O/c1-11-16(22-23-25(11)13-5-4-8-20-17(13)19)12-6-7-15-21-14(18(2,3)26)10-24(15)9-12/h4-10,26H,1-3H3
InChIKeyPCHXYFDOPWAJTD-UHFFFAOYSA-N
XLogP2.65
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol?
The IUPAC name of 2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol (CID 23158159) is 2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol?
The canonical SMILES for 2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol is Cc1c(-c2ccc3nc(C(C)(C)O)cn3c2)nnn1-c1cccnc1F.
What is the InChIKey of 2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol?
The InChIKey is PCHXYFDOPWAJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-11-16(22-23-25(11)13-5-4-8-20-17(13)19)12-6-7-15-21-14(18(2,3)26)10-24(15)9-12/h4-10,26H,1-3H3.
What are the key properties of 2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol?
2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol has a molecular weight of 352.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol is sourced from PubChem (CID 23158159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).