1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H13F3N10O — CID 134609888

IUPAC1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3cc(N)nc4ccccc34)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C22H13F3N10O/c23-22(24,25)19-15(11-31-34(19)17-8-18(27)33-16-4-2-1-3-14(16)17)21(36)32-13-7-12(9-26)20(28-10-13)35-29-5-6-30-35/h1-8,10-11H,(H2,27,33)(H,32,36)
InChIKeyIAJUMSVNOHCOET-UHFFFAOYSA-N
MW490.41 g/mol
LogP3.12
Rot. Bonds4

About 1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609888) has the molecular formula C22H13F3N10O and a molecular weight of 490.41 g/mol. Its IUPAC name is 1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609888
Molecular FormulaC22H13F3N10O
Molecular Weight490.41 g/mol
Exact Mass490.12
IUPAC Name1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3cc(N)nc4ccccc34)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C22H13F3N10O/c23-22(24,25)19-15(11-31-34(19)17-8-18(27)33-16-4-2-1-3-14(16)17)21(36)32-13-7-12(9-26)20(28-10-13)35-29-5-6-30-35/h1-8,10-11H,(H2,27,33)(H,32,36)
InChIKeyIAJUMSVNOHCOET-UHFFFAOYSA-N
XLogP3.12
TPSA153.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-(2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375517
N-(6-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)benzamide
CID 17748379
N-(5-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyrazin-2-yl)benzamide
CID 52946747
5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375516
1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375530
1-(2,4-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375577
4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383378
US9533987, example 76
CID 86343086
1-[4-(cyanomethyl)-1-(1H-indol-2-ylmethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89473671
US10040779, Example 77
CID 90216618
N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)isonicotinamide
CID 25212376
N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)nicotinamide
CID 44570110

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609888) is 1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is N#Cc1cc(NC(=O)c2cnn(-c3cc(N)nc4ccccc34)c2C(F)(F)F)cnc1-n1nccn1.
What is the InChIKey of 1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is IAJUMSVNOHCOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N10O/c23-22(24,25)19-15(11-31-34(19)17-8-18(27)33-16-4-2-1-3-14(16)17)21(36)32-13-7-12(9-26)20(28-10-13)35-29-5-6-30-35/h1-8,10-11H,(H2,27,33)(H,32,36).
What are the key properties of 1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 490.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoquinolin-4-yl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).