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

C17H13F3N6OS — CID 135590876

IUPAC(7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)[C@H](c2cccs2)n2nc(C(F)(F)F)nc2N1
InChIInChI=1S/C17H13F3N6OS/c1-9-12(14(27)23-10-4-2-6-21-8-10)13(11-5-3-7-28-11)26-16(22-9)24-15(25-26)17(18,19)20/h2-8,13H,1H3,(H,23,27)(H,22,24,25)/t13-/m0/s1
InChIKeyBWTYPLSYZFOQJG-ZDUSSCGKSA-N
MW406.39 g/mol
LogP3.68
Rot. Bonds3

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

(7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135590876) has the molecular formula C17H13F3N6OS and a molecular weight of 406.39 g/mol. Its IUPAC name is (7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135590876
Molecular FormulaC17H13F3N6OS
Molecular Weight406.39 g/mol
Exact Mass406.08
IUPAC Name(7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)[C@H](c2cccs2)n2nc(C(F)(F)F)nc2N1
InChIInChI=1S/C17H13F3N6OS/c1-9-12(14(27)23-10-4-2-6-21-8-10)13(11-5-3-7-28-11)26-16(22-9)24-15(25-26)17(18,19)20/h2-8,13H,1H3,(H,23,27)(H,22,24,25)/t13-/m0/s1
InChIKeyBWTYPLSYZFOQJG-ZDUSSCGKSA-N
XLogP3.68
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(4-tert-butylphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135823324
2-(4-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135847506
(7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135890329
(7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 992504
2-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135551237
(7R)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135890375
(6R,7S)-5-methylidene-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2328934
(7S)-N-(4-chlorophenyl)-5-methyl-7-pyridin-4-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136910789
5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135845887
(7S)-7-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 992484
N,7-bis(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135572653
2-(4-methoxyphenyl)-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135553706

Frequently Asked Questions

What is the IUPAC name of (7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135590876) is (7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccs2)n2nc(C(F)(F)F)nc2N1.
What is the InChIKey of (7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is BWTYPLSYZFOQJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H13F3N6OS/c1-9-12(14(27)23-10-4-2-6-21-8-10)13(11-5-3-7-28-11)26-16(22-9)24-15(25-26)17(18,19)20/h2-8,13H,1H3,(H,23,27)(H,22,24,25)/t13-/m0/s1.
What are the key properties of (7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 406.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135590876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).