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

C27H20N6O — CID 52920793

IUPACN-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3cccc(C#N)c3)cc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C27H20N6O/c1-18-5-2-9-25(30-18)27-23(20-10-11-24-21(14-20)7-4-12-29-24)16-33(32-27)17-26(34)31-22-8-3-6-19(13-22)15-28/h2-14,16H,17H2,1H3,(H,31,34)
InChIKeyCSVAYJICHSGDHD-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.98
Rot. Bonds5

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

N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide (PubChem CID 52920793) has the molecular formula C27H20N6O and a molecular weight of 444.50 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide
PubChem CID52920793
Molecular FormulaC27H20N6O
Molecular Weight444.50 g/mol
Exact Mass444.17
IUPAC NameN-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3cccc(C#N)c3)cc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C27H20N6O/c1-18-5-2-9-25(30-18)27-23(20-10-11-24-21(14-20)7-4-12-29-24)16-33(32-27)17-26(34)31-22-8-3-6-19(13-22)15-28/h2-14,16H,17H2,1H3,(H,31,34)
InChIKeyCSVAYJICHSGDHD-UHFFFAOYSA-N
XLogP4.98
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide (CID 52920793) is N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide is Cc1cccc(-c2nn(CC(=O)Nc3cccc(C#N)c3)cc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide?
The InChIKey is CSVAYJICHSGDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N6O/c1-18-5-2-9-25(30-18)27-23(20-10-11-24-21(14-20)7-4-12-29-24)16-33(32-27)17-26(34)31-22-8-3-6-19(13-22)15-28/h2-14,16H,17H2,1H3,(H,31,34).
What are the key properties of N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide?
N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide has a molecular weight of 444.50 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 52920793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).