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

C24H22FN7O — CID 11419380

IUPAC7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2c(CCOCc3ccccc3)c(Cn3ccnc3-c3ncccc3F)ncn2n1
InChIInChI=1S/C24H22FN7O/c1-17-29-23-19(9-13-33-15-18-6-3-2-4-7-18)21(28-16-32(23)30-17)14-31-12-11-27-24(31)22-20(25)8-5-10-26-22/h2-8,10-12,16H,9,13-15H2,1H3
InChIKeyFFWKFXVAHOJBJD-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.64
Rot. Bonds8

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

7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11419380) has the molecular formula C24H22FN7O and a molecular weight of 443.49 g/mol. Its IUPAC name is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11419380
Molecular FormulaC24H22FN7O
Molecular Weight443.49 g/mol
Exact Mass443.19
IUPAC Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2c(CCOCc3ccccc3)c(Cn3ccnc3-c3ncccc3F)ncn2n1
InChIInChI=1S/C24H22FN7O/c1-17-29-23-19(9-13-33-15-18-6-3-2-4-7-18)21(28-16-32(23)30-17)14-31-12-11-27-24(31)22-20(25)8-5-10-26-22/h2-8,10-12,16H,9,13-15H2,1H3
InChIKeyFFWKFXVAHOJBJD-UHFFFAOYSA-N
XLogP3.64
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.64
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-(2-phenylmethoxyethyl)-[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-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11419380) is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(2-phenylmethoxyethyl)-[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-(2-phenylmethoxyethyl)-[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-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1nc2c(CCOCc3ccccc3)c(Cn3ccnc3-c3ncccc3F)ncn2n1.
What is the InChIKey of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is FFWKFXVAHOJBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O/c1-17-29-23-19(9-13-33-15-18-6-3-2-4-7-18)21(28-16-32(23)30-17)14-31-12-11-27-24(31)22-20(25)8-5-10-26-22/h2-8,10-12,16H,9,13-15H2,1H3.
What are the key properties of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 443.49 g/mol, XLogP of 3.64, 8 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-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11419380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).