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

C25H18FN5O — CID 138615188

IUPACN-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccccc3F)cc2-c2ccnc3ccccc23)n1
InChIInChI=1S/C25H18FN5O/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/h2-15H,1H3,(H,29,32)
InChIKeyKHTRQMLZAXTCDE-UHFFFAOYSA-N
MW423.45 g/mol
LogP5.18
Rot. Bonds4

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

N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide (PubChem CID 138615188) has the molecular formula C25H18FN5O and a molecular weight of 423.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide
PubChem CID138615188
Molecular FormulaC25H18FN5O
Molecular Weight423.45 g/mol
Exact Mass423.15
IUPAC NameN-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccccc3F)cc2-c2ccnc3ccccc23)n1
InChIInChI=1S/C25H18FN5O/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/h2-15H,1H3,(H,29,32)
InChIKeyKHTRQMLZAXTCDE-UHFFFAOYSA-N
XLogP5.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide (CID 138615188) is N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)cc2-c2ccnc3ccccc23)n1.
What is the InChIKey of N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide?
The InChIKey is KHTRQMLZAXTCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O/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/h2-15H,1H3,(H,29,32).
What are the key properties of N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide?
N-(2-fluorophenyl)-1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 138615188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).