5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine

C36H30F8N12O5 — CID 162034112

IUPAC5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCOc1ncc(F)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1.COc1ncc(F)cc1C(=O)O.Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C18H14F4N6O2.C11H10F3N5.C7H6FNO3/c1-30-16-11(7-10(19)8-23-16)15(29)26-13-4-2-3-12(25-13)14-27-24-9-28(14)17(5-6-17)18(20,21)22;12-11(13,14)10(4-5-10)19-6-16-18-9(19)7-2-1-3-8(15)17-7;1-12-6-5(7(10)11)2-4(8)3-9-6/h2-4,7-9H,5-6H2,1H3,(H,25,26,29);1-3,6H,4-5H2,(H2,15,17);2-3H,1H3,(H,10,11)
InChIKeyYWKMIHHRCABITC-UHFFFAOYSA-N
MW862.70 g/mol
LogP6.09
Rot. Bonds9

About 5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine

5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 162034112) has the molecular formula C36H30F8N12O5 and a molecular weight of 862.70 g/mol. Its IUPAC name is 5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine
PubChem CID162034112
Molecular FormulaC36H30F8N12O5
Molecular Weight862.70 g/mol
Exact Mass862.23
IUPAC Name5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCOc1ncc(F)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1.COc1ncc(F)cc1C(=O)O.Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C18H14F4N6O2.C11H10F3N5.C7H6FNO3/c1-30-16-11(7-10(19)8-23-16)15(29)26-13-4-2-3-12(25-13)14-27-24-9-28(14)17(5-6-17)18(20,21)22;12-11(13,14)10(4-5-10)19-6-16-18-9(19)7-2-1-3-8(15)17-7;1-12-6-5(7(10)11)2-4(8)3-9-6/h2-4,7-9H,5-6H2,1H3,(H,25,26,29);1-3,6H,4-5H2,(H2,15,17);2-3H,1H3,(H,10,11)
InChIKeyYWKMIHHRCABITC-UHFFFAOYSA-N
XLogP6.09
TPSA223.86 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500862.70
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine with MolForge

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Related Compounds

Ask1-IN-6
CID 153384510
2-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 153384514
2-methoxy-5-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 153384518
2-[4-[3-(6-Aminopyridin-2-yl)-1,2,4-triazol-4-yl]pentoxy]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 146381516
Methyl 2-[4-[3-(6-formamidopyridin-2-yl)-1,2,4-triazol-4-yl]pentoxy]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 146381517
2-methoxy-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 153207801
N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-yl]-2-methoxypyridine-3-carboxamide
CID 153384503
5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 153384508
2-methoxy-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 153384512
2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 153384515
N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]pyridin-2-yl]-2-methoxypyridine-3-carboxamide
CID 153384519
N-[6-[4-[(2S)-1,1-difluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide
CID 156274009

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The IUPAC name of 5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine (CID 162034112) is 5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine is COc1ncc(F)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1.COc1ncc(F)cc1C(=O)O.Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1.
What is the InChIKey of 5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The InChIKey is YWKMIHHRCABITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N6O2.C11H10F3N5.C7H6FNO3/c1-30-16-11(7-10(19)8-23-16)15(29)26-13-4-2-3-12(25-13)14-27-24-9-28(14)17(5-6-17)18(20,21)22;12-11(13,14)10(4-5-10)19-6-16-18-9(19)7-2-1-3-8(15)17-7;1-12-6-5(7(10)11)2-4(8)3-9-6/h2-4,7-9H,5-6H2,1H3,(H,25,26,29);1-3,6H,4-5H2,(H2,15,17);2-3H,1H3,(H,10,11).
What are the key properties of 5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 862.70 g/mol, XLogP of 6.09, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 162034112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).