N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide

C25H18FN5O — CID 18674112

IUPACN-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide
SMILESCC(=O)N(c1ccc2ccccc2n1)c1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C25H18FN5O/c1-16(32)31(22-11-8-17-4-2-3-5-21(17)28-22)25-23(18-12-14-27-15-13-18)24(29-30-25)19-6-9-20(26)10-7-19/h2-15H,1H3,(H,29,30)
InChIKeyDDYAPIQRZJNNLT-UHFFFAOYSA-N
MW423.45 g/mol
LogP5.51
Rot. Bonds4

About N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide

N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide (PubChem CID 18674112) has the molecular formula C25H18FN5O and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide
PubChem CID18674112
Molecular FormulaC25H18FN5O
Molecular Weight423.45 g/mol
Exact Mass423.15
IUPAC NameN-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide
SMILESCC(=O)N(c1ccc2ccccc2n1)c1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C25H18FN5O/c1-16(32)31(22-11-8-17-4-2-3-5-21(17)28-22)25-23(18-12-14-27-15-13-18)24(29-30-25)19-6-9-20(26)10-7-19/h2-15H,1H3,(H,29,30)
InChIKeyDDYAPIQRZJNNLT-UHFFFAOYSA-N
XLogP5.51
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.45
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
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Gpd-1116
CID 9841417
N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
N-(2,6-difluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57400854
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-phenylethyl)urea
CID 71555243
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555244
(R)-1-(3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1-phenylethyl)urea
CID 71555466
1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555534
1-[3-(6-methylpyridazin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044553
1-[3-(2-fluoro-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044895
1-(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)imidazolidin-2-one
CID 118660806
1-(3-Fluorophenyl)-3-(3-((7-(1-methyl-1H-pyrazol-4-yl)quinazolin-4-yl)amino)phenyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide (CID 18674112) is N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide is CC(=O)N(c1ccc2ccccc2n1)c1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide?
The InChIKey is DDYAPIQRZJNNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O/c1-16(32)31(22-11-8-17-4-2-3-5-21(17)28-22)25-23(18-12-14-27-15-13-18)24(29-30-25)19-6-9-20(26)10-7-19/h2-15H,1H3,(H,29,30).
What are the key properties of N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide?
N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide has a molecular weight of 423.45 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide is sourced from PubChem (CID 18674112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).