N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide

C22H16ClN7O — CID 71010159

IUPACN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide
SMILESCc1c(C#N)cncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3)ccc2Cl)cn1
InChIInChI=1S/C22H16ClN7O/c1-13-15(6-24)7-25-9-18(13)22(31)29-21-11-26-20(10-27-21)17-5-14(3-4-19(17)23)16-8-28-30(2)12-16/h3-5,7-12H,1-2H3,(H,27,29,31)
InChIKeyXIWNFRSWTRPDHX-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.02
Rot. Bonds4

About N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide

N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide (PubChem CID 71010159) has the molecular formula C22H16ClN7O and a molecular weight of 429.87 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide
PubChem CID71010159
Molecular FormulaC22H16ClN7O
Molecular Weight429.87 g/mol
Exact Mass429.11
IUPAC NameN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide
SMILESCc1c(C#N)cncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3)ccc2Cl)cn1
InChIInChI=1S/C22H16ClN7O/c1-13-15(6-24)7-25-9-18(13)22(31)29-21-11-26-20(10-27-21)17-5-14(3-4-19(17)23)16-8-28-30(2)12-16/h3-5,7-12H,1-2H3,(H,27,29,31)
InChIKeyXIWNFRSWTRPDHX-UHFFFAOYSA-N
XLogP4.02
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide 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 N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide (CID 71010159) is N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide is Cc1c(C#N)cncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3)ccc2Cl)cn1.
What is the InChIKey of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide?
The InChIKey is XIWNFRSWTRPDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN7O/c1-13-15(6-24)7-25-9-18(13)22(31)29-21-11-26-20(10-27-21)17-5-14(3-4-19(17)23)16-8-28-30(2)12-16/h3-5,7-12H,1-2H3,(H,27,29,31).
What are the key properties of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide?
N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide has a molecular weight of 429.87 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-cyano-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).