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

C24H19N7S — CID 90683012

IUPAC2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1cn(-c2c(-c3cc(-c4cccs4)nc(N)c3C#N)c(C)nn2-c2ccccc2)cn1
InChIInChI=1S/C24H19N7S/c1-15-13-30(14-27-15)24-22(16(2)29-31(24)17-7-4-3-5-8-17)18-11-20(21-9-6-10-32-21)28-23(26)19(18)12-25/h3-11,13-14H,1-2H3,(H2,26,28)
InChIKeyMUKZVPPSGGQPJA-UHFFFAOYSA-N
MW437.53 g/mol
LogP4.92
Rot. Bonds4

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

2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 90683012) has the molecular formula C24H19N7S and a molecular weight of 437.53 g/mol. Its IUPAC name is 2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID90683012
Molecular FormulaC24H19N7S
Molecular Weight437.53 g/mol
Exact Mass437.14
IUPAC Name2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1cn(-c2c(-c3cc(-c4cccs4)nc(N)c3C#N)c(C)nn2-c2ccccc2)cn1
InChIInChI=1S/C24H19N7S/c1-15-13-30(14-27-15)24-22(16(2)29-31(24)17-7-4-3-5-8-17)18-11-20(21-9-6-10-32-21)28-23(26)19(18)12-25/h3-11,13-14H,1-2H3,(H2,26,28)
InChIKeyMUKZVPPSGGQPJA-UHFFFAOYSA-N
XLogP4.92
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile (CID 90683012) is 2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile is Cc1cn(-c2c(-c3cc(-c4cccs4)nc(N)c3C#N)c(C)nn2-c2ccccc2)cn1.
What is the InChIKey of 2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is MUKZVPPSGGQPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7S/c1-15-13-30(14-27-15)24-22(16(2)29-31(24)17-7-4-3-5-8-17)18-11-20(21-9-6-10-32-21)28-23(26)19(18)12-25/h3-11,13-14H,1-2H3,(H2,26,28).
What are the key properties of 2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile?
2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 437.53 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 90683012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).