7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine

C25H24FN7O — CID 11431027

IUPAC7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2c(CCCOCc3ccccc3)c(Cn3ccnc3-c3ncccc3F)ncn2n1
InChIInChI=1S/C25H24FN7O/c1-18-30-24-20(9-6-14-34-16-19-7-3-2-4-8-19)22(29-17-33(24)31-18)15-32-13-12-28-25(32)23-21(26)10-5-11-27-23/h2-5,7-8,10-13,17H,6,9,14-16H2,1H3
InChIKeyQEWKYEIJIPNJHO-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.03
Rot. Bonds9

About 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine

7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11431027) has the molecular formula C25H24FN7O and a molecular weight of 457.51 g/mol. Its IUPAC name is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11431027
Molecular FormulaC25H24FN7O
Molecular Weight457.51 g/mol
Exact Mass457.20
IUPAC Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2c(CCCOCc3ccccc3)c(Cn3ccnc3-c3ncccc3F)ncn2n1
InChIInChI=1S/C25H24FN7O/c1-18-30-24-20(9-6-14-34-16-19-7-3-2-4-8-19)22(29-17-33(24)31-18)15-32-13-12-28-25(32)23-21(26)10-5-11-27-23/h2-5,7-8,10-13,17H,6,9,14-16H2,1H3
InChIKeyQEWKYEIJIPNJHO-UHFFFAOYSA-N
XLogP4.03
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11431027) is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1nc2c(CCCOCc3ccccc3)c(Cn3ccnc3-c3ncccc3F)ncn2n1.
What is the InChIKey of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is QEWKYEIJIPNJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O/c1-18-30-24-20(9-6-14-34-16-19-7-3-2-4-8-19)22(29-17-33(24)31-18)15-32-13-12-28-25(32)23-21(26)10-5-11-27-23/h2-5,7-8,10-13,17H,6,9,14-16H2,1H3.
What are the key properties of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 457.51 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11431027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).