N-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C24H17N7O — CID 90156896

IUPACN-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(-c4ccn[nH]4)cc3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C24H17N7O/c1-30(19-8-2-16(12-25)3-9-19)24(32)21-15-31-22(13-27-23(31)14-26-21)18-6-4-17(5-7-18)20-10-11-28-29-20/h2-11,13-15H,1H3,(H,28,29)
InChIKeyYEUDDPVZLPYOJS-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.93
Rot. Bonds4

About N-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90156896) has the molecular formula C24H17N7O and a molecular weight of 419.45 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90156896
Molecular FormulaC24H17N7O
Molecular Weight419.45 g/mol
Exact Mass419.15
IUPAC NameN-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(-c4ccn[nH]4)cc3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C24H17N7O/c1-30(19-8-2-16(12-25)3-9-19)24(32)21-15-31-22(13-27-23(31)14-26-21)18-6-4-17(5-7-18)20-10-11-28-29-20/h2-11,13-15H,1H3,(H,28,29)
InChIKeyYEUDDPVZLPYOJS-UHFFFAOYSA-N
XLogP3.93
TPSA102.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 90156896) is N-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(-c4ccn[nH]4)cc3)cnc2cn1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is YEUDDPVZLPYOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7O/c1-30(19-8-2-16(12-25)3-9-19)24(32)21-15-31-22(13-27-23(31)14-26-21)18-6-4-17(5-7-18)20-10-11-28-29-20/h2-11,13-15H,1H3,(H,28,29).
What are the key properties of N-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90156896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).