2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C26H23FN6O3 — CID 135419149

IUPAC2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2nc3n(n2)C(c2ccccc2F)C(C(=O)Nc2cccnc2)=C(C)N3)cc1OC
InChIInChI=1S/C26H23FN6O3/c1-15-22(25(34)30-17-7-6-12-28-14-17)23(18-8-4-5-9-19(18)27)33-26(29-15)31-24(32-33)16-10-11-20(35-2)21(13-16)36-3/h4-14,23H,1-3H3,(H,30,34)(H,29,31,32)
InChIKeyKEPISIGRMWZKSU-UHFFFAOYSA-N
MW486.51 g/mol
LogP4.42
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135419149) has the molecular formula C26H23FN6O3 and a molecular weight of 486.51 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135419149
Molecular FormulaC26H23FN6O3
Molecular Weight486.51 g/mol
Exact Mass486.18
IUPAC Name2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2nc3n(n2)C(c2ccccc2F)C(C(=O)Nc2cccnc2)=C(C)N3)cc1OC
InChIInChI=1S/C26H23FN6O3/c1-15-22(25(34)30-17-7-6-12-28-14-17)23(18-8-4-5-9-19(18)27)33-26(29-15)31-24(32-33)16-10-11-20(35-2)21(13-16)36-3/h4-14,23H,1-3H3,(H,30,34)(H,29,31,32)
InChIKeyKEPISIGRMWZKSU-UHFFFAOYSA-N
XLogP4.42
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135419149) is 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(-c2nc3n(n2)C(c2ccccc2F)C(C(=O)Nc2cccnc2)=C(C)N3)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KEPISIGRMWZKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3/c1-15-22(25(34)30-17-7-6-12-28-14-17)23(18-8-4-5-9-19(18)27)33-26(29-15)31-24(32-33)16-10-11-20(35-2)21(13-16)36-3/h4-14,23H,1-3H3,(H,30,34)(H,29,31,32).
What are the key properties of 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 486.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135419149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).