2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile

C23H17N7S — CID 90682906

IUPAC2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1nn(-c2ccccc2)c(-n2ccnc2)c1-c1cc(-c2cccs2)nc(N)c1C#N
InChIInChI=1S/C23H17N7S/c1-15-21(17-12-19(20-8-5-11-31-20)27-22(25)18(17)13-24)23(29-10-9-26-14-29)30(28-15)16-6-3-2-4-7-16/h2-12,14H,1H3,(H2,25,27)
InChIKeyNOPZUQOLXLBHMV-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.61
Rot. Bonds4

About 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile

2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 90682906) has the molecular formula C23H17N7S and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID90682906
Molecular FormulaC23H17N7S
Molecular Weight423.51 g/mol
Exact Mass423.13
IUPAC Name2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1nn(-c2ccccc2)c(-n2ccnc2)c1-c1cc(-c2cccs2)nc(N)c1C#N
InChIInChI=1S/C23H17N7S/c1-15-21(17-12-19(20-8-5-11-31-20)27-22(25)18(17)13-24)23(29-10-9-26-14-29)30(28-15)16-6-3-2-4-7-16/h2-12,14H,1H3,(H2,25,27)
InChIKeyNOPZUQOLXLBHMV-UHFFFAOYSA-N
XLogP4.61
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile (CID 90682906) is 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile is Cc1nn(-c2ccccc2)c(-n2ccnc2)c1-c1cc(-c2cccs2)nc(N)c1C#N.
What is the InChIKey of 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is NOPZUQOLXLBHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7S/c1-15-21(17-12-19(20-8-5-11-31-20)27-22(25)18(17)13-24)23(29-10-9-26-14-29)30(28-15)16-6-3-2-4-7-16/h2-12,14H,1H3,(H2,25,27).
What are the key properties of 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile?
2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 423.51 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 90682906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).