N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C21H15F3N10O — CID 165113845

IUPACN-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cnc3c(N)ncnn23)cn1
InChIInChI=1S/C21H15F3N10O/c1-11-16(33-9-12(6-30-33)17-8-28-19-18(25)29-10-31-34(17)19)5-14(7-27-11)32-20(35)15-4-13(2-3-26-15)21(22,23)24/h2-10H,1H3,(H,32,35)(H2,25,29,31)
InChIKeyCJZVFGXJXPRHRD-UHFFFAOYSA-N
MW480.41 g/mol
LogP2.93
Rot. Bonds4

About N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 165113845) has the molecular formula C21H15F3N10O and a molecular weight of 480.41 g/mol. Its IUPAC name is N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID165113845
Molecular FormulaC21H15F3N10O
Molecular Weight480.41 g/mol
Exact Mass480.14
IUPAC NameN-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cnc3c(N)ncnn23)cn1
InChIInChI=1S/C21H15F3N10O/c1-11-16(33-9-12(6-30-33)17-8-28-19-18(25)29-10-31-34(17)19)5-14(7-27-11)32-20(35)15-4-13(2-3-26-15)21(22,23)24/h2-10H,1H3,(H,32,35)(H2,25,29,31)
InChIKeyCJZVFGXJXPRHRD-UHFFFAOYSA-N
XLogP2.93
TPSA141.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzamide
CID 165113807
N-[6-methyl-5-[4-[5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 70903032
N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 70903006
N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 165113796
N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 165113804
N-[6-methyl-5-[4-[5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 70902972
N-[3-[4-(6-amino-3-pyridinyl)pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 165113852
N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 171520632
4-(trifluoromethyl)pyridine-2-carbohydrazide
CID 90455852
N-[6-methyl-5-[4-[5-[[3-(4-methylpiperazin-1-yl)cyclobutyl]amino]-3-pyridinyl]-4,5-dihydrotriazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 91216297
N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 164905465
N-methyl-4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]pyridine-2-carboxamide
CID 168930262

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 165113845) is N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cnc3c(N)ncnn23)cn1.
What is the InChIKey of N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CJZVFGXJXPRHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N10O/c1-11-16(33-9-12(6-30-33)17-8-28-19-18(25)29-10-31-34(17)19)5-14(7-27-11)32-20(35)15-4-13(2-3-26-15)21(22,23)24/h2-10H,1H3,(H,32,35)(H2,25,29,31).
What are the key properties of N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 480.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 165113845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).