N-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C24H15F3N8O — CID 134609896

IUPACN-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1ccc(-c2ncc(NC(=O)c3cnn(-c4cccc5ncccc45)c3C(F)(F)F)cc2C#N)n1
InChIInChI=1S/C24H15F3N8O/c1-34-9-7-19(33-34)21-14(11-28)10-15(12-30-21)32-23(36)17-13-31-35(22(17)24(25,26)27)20-6-2-5-18-16(20)4-3-8-29-18/h2-10,12-13H,1H3,(H,32,36)
InChIKeyKDICHPIPRRWVLG-UHFFFAOYSA-N
MW488.43 g/mol
LogP4.36
Rot. Bonds4

About N-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609896) has the molecular formula C24H15F3N8O and a molecular weight of 488.43 g/mol. Its IUPAC name is N-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609896
Molecular FormulaC24H15F3N8O
Molecular Weight488.43 g/mol
Exact Mass488.13
IUPAC NameN-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1ccc(-c2ncc(NC(=O)c3cnn(-c4cccc5ncccc45)c3C(F)(F)F)cc2C#N)n1
InChIInChI=1S/C24H15F3N8O/c1-34-9-7-19(33-34)21-14(11-28)10-15(12-30-21)32-23(36)17-13-31-35(22(17)24(25,26)27)20-6-2-5-18-16(20)4-3-8-29-18/h2-10,12-13H,1H3,(H,32,36)
InChIKeyKDICHPIPRRWVLG-UHFFFAOYSA-N
XLogP4.36
TPSA114.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-Quinolinyl)-1-[3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 10430847
N-(5-Methyl-1-quinolin-5-yl-1H-pyrazole-4-carbonyl)-guanidine
CID 22267755
3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 122690857
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-((1r,4r)-4-(cyclopropane-carboxamido)cyclohexyl)-4-((1-(2,2-difluoroethyl)-1H-pyrazol-4-yl)amino) nicotinamide
CID 138703700
(R)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-4-((1-(2,2-difluoroethyl)-1H-pyrazol-4-yl)amino)-N-(2-fluoro-3-hydroxy-3-methylbutyl) nicotinamide
CID 138703941
(R)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-4-((1-(difluoromethyl)-1H-pyrazol-4-yl)amino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)nicotinamide
CID 138704144
1-(2-(pyridin-4-yl)ethyl)-N-(quinolin-3-yl)-1H-pyrazole-5-carboxamide
CID 44431907
1-methyl-4-(pyridin-4-ylmethylamino)-N-(quinolin-3-yl)-1H-pyrazole-5-carboxamide
CID 44439479
US10344025, Example 170
CID 118640570
US9920032, Example 63
CID 126739010
US9920032, Example 64
CID 126739069
US9920032, Example 62
CID 126739132

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609896) is N-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is Cn1ccc(-c2ncc(NC(=O)c3cnn(-c4cccc5ncccc45)c3C(F)(F)F)cc2C#N)n1.
What is the InChIKey of N-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is KDICHPIPRRWVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N8O/c1-34-9-7-19(33-34)21-14(11-28)10-15(12-30-21)32-23(36)17-13-31-35(22(17)24(25,26)27)20-6-2-5-18-16(20)4-3-8-29-18/h2-10,12-13H,1H3,(H,32,36).
What are the key properties of N-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 488.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).