2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide

C19H17F3N6O2 — CID 177051390

IUPAC2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)nc32)ccn1
InChIInChI=1S/C19H17F3N6O2/c1-30-15-10-12(5-7-24-15)18(29)25-13-3-2-8-28-17(13)26-16(27-28)11-4-6-23-14(9-11)19(20,21)22/h4-7,9-10,13H,2-3,8H2,1H3,(H,25,29)/t13-/m0/s1
InChIKeyJUSFYNCITQWLFT-ZDUSSCGKSA-N
MW418.38 g/mol
LogP3.03
Rot. Bonds4

About 2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide

2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide (PubChem CID 177051390) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is 2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide
PubChem CID177051390
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC Name2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)nc32)ccn1
InChIInChI=1S/C19H17F3N6O2/c1-30-15-10-12(5-7-24-15)18(29)25-13-3-2-8-28-17(13)26-16(27-28)11-4-6-23-14(9-11)19(20,21)22/h4-7,9-10,13H,2-3,8H2,1H3,(H,25,29)/t13-/m0/s1
InChIKeyJUSFYNCITQWLFT-ZDUSSCGKSA-N
XLogP3.03
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide
CID 177051378
2-ethoxy-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide
CID 177050566
2,6-dimethyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide
CID 177051168
3-fluoro-5-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177050677
3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177051267
4-fluoro-3-(trifluoromethoxy)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177050279
1-methyl-3-(trifluoromethyl)-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
CID 177050533
3-cyano-4-fluoro-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-yl]benzamide
CID 177050632
5-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazine-2-carboxamide
CID 177050534
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
5-methoxy-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1,2,4-triazole-3-carboxamide
CID 177051596
2-methyl-4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide
CID 177051543

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide?
The IUPAC name of 2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide (CID 177051390) is 2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide is COc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)nc32)ccn1.
What is the InChIKey of 2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide?
The InChIKey is JUSFYNCITQWLFT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c1-30-15-10-12(5-7-24-15)18(29)25-13-3-2-8-28-17(13)26-16(27-28)11-4-6-23-14(9-11)19(20,21)22/h4-7,9-10,13H,2-3,8H2,1H3,(H,25,29)/t13-/m0/s1.
What are the key properties of 2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide?
2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide is sourced from PubChem (CID 177051390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).