3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide

C27H22N6O2 — CID 54581525

IUPAC3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide
SMILESCc1cccc(-c2c(-c3ccc4ncccc4c3)cnn2CC(=O)Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C27H22N6O2/c1-17-5-2-9-24(31-17)26-22(18-10-11-23-19(13-18)7-4-12-29-23)15-30-33(26)16-25(34)32-21-8-3-6-20(14-21)27(28)35/h2-15H,16H2,1H3,(H2,28,35)(H,32,34)
InChIKeyZNZRPXONZHXWML-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.21
Rot. Bonds6

About 3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide

3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide (PubChem CID 54581525) has the molecular formula C27H22N6O2 and a molecular weight of 462.51 g/mol. Its IUPAC name is 3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide
PubChem CID54581525
Molecular FormulaC27H22N6O2
Molecular Weight462.51 g/mol
Exact Mass462.18
IUPAC Name3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide
SMILESCc1cccc(-c2c(-c3ccc4ncccc4c3)cnn2CC(=O)Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C27H22N6O2/c1-17-5-2-9-24(31-17)26-22(18-10-11-23-19(13-18)7-4-12-29-23)15-30-33(26)16-25(34)32-21-8-3-6-20(14-21)27(28)35/h2-15H,16H2,1H3,(H2,28,35)(H,32,34)
InChIKeyZNZRPXONZHXWML-UHFFFAOYSA-N
XLogP4.21
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide (CID 54581525) is 3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide is Cc1cccc(-c2c(-c3ccc4ncccc4c3)cnn2CC(=O)Nc2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide?
The InChIKey is ZNZRPXONZHXWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2/c1-17-5-2-9-24(31-17)26-22(18-10-11-23-19(13-18)7-4-12-29-23)15-30-33(26)16-25(34)32-21-8-3-6-20(14-21)27(28)35/h2-15H,16H2,1H3,(H2,28,35)(H,32,34).
What are the key properties of 3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide?
3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide has a molecular weight of 462.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 54581525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).