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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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).