5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile

C23H15N7 — CID 108779144

IUPAC5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccc3ccccc3n2)c1Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C23H15N7/c24-14-18-15-25-30(22-13-10-17-8-4-5-9-19(17)26-22)23(18)27-21-12-11-20(28-29-21)16-6-2-1-3-7-16/h1-13,15H,(H,27,29)
InChIKeyOSMINKMVTQTSIO-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.49
Rot. Bonds4

About 5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile

5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile (PubChem CID 108779144) has the molecular formula C23H15N7 and a molecular weight of 389.42 g/mol. Its IUPAC name is 5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
PubChem CID108779144
Molecular FormulaC23H15N7
Molecular Weight389.42 g/mol
Exact Mass389.14
IUPAC Name5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccc3ccccc3n2)c1Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C23H15N7/c24-14-18-15-25-30(22-13-10-17-8-4-5-9-19(17)26-22)23(18)27-21-12-11-20(28-29-21)16-6-2-1-3-7-16/h1-13,15H,(H,27,29)
InChIKeyOSMINKMVTQTSIO-UHFFFAOYSA-N
XLogP4.49
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile (CID 108779144) is 5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile is N#Cc1cnn(-c2ccc3ccccc3n2)c1Nc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile?
The InChIKey is OSMINKMVTQTSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N7/c24-14-18-15-25-30(22-13-10-17-8-4-5-9-19(17)26-22)23(18)27-21-12-11-20(28-29-21)16-6-2-1-3-7-16/h1-13,15H,(H,27,29).
What are the key properties of 5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile?
5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile has a molecular weight of 389.42 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 108779144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).