N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid

C44H32FN9O3 — CID 161224466

IUPACN-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid
SMILESCc1cccc(-n2nc(C(=O)Nc3ccccc3F)cc2-c2ccnc3ccccc23)n1.Cc1cccc(-n2nc(C(=O)O)cc2-c2ccnc3ccccc23)n1
InChIInChI=1S/C25H18FN5O.C19H14N4O2/c1-16-7-6-12-24(28-16)31-23(18-13-14-27-20-10-4-2-8-17(18)20)15-22(30-31)25(32)29-21-11-5-3-9-19(21)26;1-12-5-4-8-18(21-12)23-17(11-16(22-23)19(24)25)14-9-10-20-15-7-3-2-6-13(14)15/h2-15H,1H3,(H,29,32);2-11H,1H3,(H,24,25)
InChIKeyUXYARYFWOYWNDI-UHFFFAOYSA-N
MW753.80 g/mol
LogP8.67
Rot. Bonds7

About N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid

N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid (PubChem CID 161224466) has the molecular formula C44H32FN9O3 and a molecular weight of 753.80 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid
PubChem CID161224466
Molecular FormulaC44H32FN9O3
Molecular Weight753.80 g/mol
Exact Mass753.26
IUPAC NameN-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid
SMILESCc1cccc(-n2nc(C(=O)Nc3ccccc3F)cc2-c2ccnc3ccccc23)n1.Cc1cccc(-n2nc(C(=O)O)cc2-c2ccnc3ccccc23)n1
InChIInChI=1S/C25H18FN5O.C19H14N4O2/c1-16-7-6-12-24(28-16)31-23(18-13-14-27-20-10-4-2-8-17(18)20)15-22(30-31)25(32)29-21-11-5-3-9-19(21)26;1-12-5-4-8-18(21-12)23-17(11-16(22-23)19(24)25)14-9-10-20-15-7-3-2-6-13(14)15/h2-15H,1H3,(H,29,32);2-11H,1H3,(H,24,25)
InChIKeyUXYARYFWOYWNDI-UHFFFAOYSA-N
XLogP8.67
TPSA153.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.80
LogP ≤ 58.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid with MolForge

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Related Compounds

5-fluoro-4-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]pyridine-2-carboxamide
CID 166629991
4-[4-[isoquinolin-1-yl-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methylpyrazole-5-carboxylic acid
CID 86279103
5-(1-amino-6-(trans-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamido)-2,7-naphthyridin-3-yl)-4-methylpicolinic acid
CID 135344538
N-[8-[1-[[4-[3-[(4-fluorobenzoyl)amino]isoquinolin-6-yl]-1-methylpyrazol-5-yl]methyl]pyrrolidin-3-yl]-6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 132077911
N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide
CID 138615188
1-[3-Fluoro-4-[[2-(1-methylpiperidine-4-carbonyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazole-3-carboxylic acid
CID 156212326
1-[3-Fluoro-4-[[2-[hydroxy-(1-methylpiperidin-4-yl)methyl]-1,6-naphthyridin-7-yl]amino]phenyl]pyrazole-3-carboxylic acid
CID 156212667
7-(2-Fluoro-4-pyrazol-1-ylanilino)-1,6-naphthyridine-2-carboxylic acid
CID 156212870
Methyl 7-[2-fluoro-4-[4-[7-(2-fluoro-4-pyrazol-1-ylanilino)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carbonyl]-1,6-naphthyridin-4-yl]pyrazol-1-yl]anilino]-1,6-naphthyridine-2-carboxylate
CID 156242557
Methyl 1-[3-fluoro-4-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]pyrazole-3-carboxylate
CID 156242901
1-[3-Fluoro-4-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]pyrazole-3-carboxylic acid
CID 156242902
methyl 1-[3-fluoro-4-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]pyrazole-3-carboxylate
CID 156719453

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid?
The IUPAC name of N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid (CID 161224466) is N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid?
The canonical SMILES for N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid is Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)cc2-c2ccnc3ccccc23)n1.Cc1cccc(-n2nc(C(=O)O)cc2-c2ccnc3ccccc23)n1.
What is the InChIKey of N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid?
The InChIKey is UXYARYFWOYWNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O.C19H14N4O2/c1-16-7-6-12-24(28-16)31-23(18-13-14-27-20-10-4-2-8-17(18)20)15-22(30-31)25(32)29-21-11-5-3-9-19(21)26;1-12-5-4-8-18(21-12)23-17(11-16(22-23)19(24)25)14-9-10-20-15-7-3-2-6-13(14)15/h2-15H,1H3,(H,29,32);2-11H,1H3,(H,24,25).
What are the key properties of N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid?
N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid has a molecular weight of 753.80 g/mol, XLogP of 8.67, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide;1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 161224466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).