3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide

C27H23N5O — CID 52920794

IUPAC3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide
SMILESCc1cccc(-c2nn(CCC(=O)Nc3ccccc3)cc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C27H23N5O/c1-19-7-5-11-25(29-19)27-23(20-12-13-24-21(17-20)8-6-15-28-24)18-32(31-27)16-14-26(33)30-22-9-3-2-4-10-22/h2-13,15,17-18H,14,16H2,1H3,(H,30,33)
InChIKeyGUKOPIGVRWRYRF-UHFFFAOYSA-N
MW433.52 g/mol
LogP5.50
Rot. Bonds6

About 3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide

3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide (PubChem CID 52920794) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is 3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide
PubChem CID52920794
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC Name3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide
SMILESCc1cccc(-c2nn(CCC(=O)Nc3ccccc3)cc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C27H23N5O/c1-19-7-5-11-25(29-19)27-23(20-12-13-24-21(17-20)8-6-15-28-24)18-32(31-27)16-14-26(33)30-22-9-3-2-4-10-22/h2-13,15,17-18H,14,16H2,1H3,(H,30,33)
InChIKeyGUKOPIGVRWRYRF-UHFFFAOYSA-N
XLogP5.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[2-[3-(1-Methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide?
The IUPAC name of 3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide (CID 52920794) is 3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide is Cc1cccc(-c2nn(CCC(=O)Nc3ccccc3)cc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide?
The InChIKey is GUKOPIGVRWRYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c1-19-7-5-11-25(29-19)27-23(20-12-13-24-21(17-20)8-6-15-28-24)18-32(31-27)16-14-26(33)30-22-9-3-2-4-10-22/h2-13,15,17-18H,14,16H2,1H3,(H,30,33).
What are the key properties of 3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide?
3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide has a molecular weight of 433.52 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 52920794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).