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

C23H21ClN6O — CID 70978056

IUPACN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-ethyl-4-methylpyridine-3-carboxamide
SMILESCCc1cncc(C(=O)Nc2cnc(-c3cc(-c4cnn(C)c4)ccc3Cl)cn2)c1C
InChIInChI=1S/C23H21ClN6O/c1-4-15-8-25-10-19(14(15)2)23(31)29-22-12-26-21(11-27-22)18-7-16(5-6-20(18)24)17-9-28-30(3)13-17/h5-13H,4H2,1-3H3,(H,27,29,31)
InChIKeyUIYYLDQBKMBMDT-UHFFFAOYSA-N
MW432.92 g/mol
LogP4.72
Rot. Bonds5

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

N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-ethyl-4-methylpyridine-3-carboxamide (PubChem CID 70978056) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-ethyl-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-ethyl-4-methylpyridine-3-carboxamide
PubChem CID70978056
Molecular FormulaC23H21ClN6O
Molecular Weight432.92 g/mol
Exact Mass432.15
IUPAC NameN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-ethyl-4-methylpyridine-3-carboxamide
SMILESCCc1cncc(C(=O)Nc2cnc(-c3cc(-c4cnn(C)c4)ccc3Cl)cn2)c1C
InChIInChI=1S/C23H21ClN6O/c1-4-15-8-25-10-19(14(15)2)23(31)29-22-12-26-21(11-27-22)18-7-16(5-6-20(18)24)17-9-28-30(3)13-17/h5-13H,4H2,1-3H3,(H,27,29,31)
InChIKeyUIYYLDQBKMBMDT-UHFFFAOYSA-N
XLogP4.72
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-ethyl-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-ethyl-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-ethyl-4-methylpyridine-3-carboxamide (CID 70978056) is N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-ethyl-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-ethyl-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-ethyl-4-methylpyridine-3-carboxamide is CCc1cncc(C(=O)Nc2cnc(-c3cc(-c4cnn(C)c4)ccc3Cl)cn2)c1C.
What is the InChIKey of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-ethyl-4-methylpyridine-3-carboxamide?
The InChIKey is UIYYLDQBKMBMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O/c1-4-15-8-25-10-19(14(15)2)23(31)29-22-12-26-21(11-27-22)18-7-16(5-6-20(18)24)17-9-28-30(3)13-17/h5-13H,4H2,1-3H3,(H,27,29,31).
What are the key properties of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-ethyl-4-methylpyridine-3-carboxamide?
N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-ethyl-4-methylpyridine-3-carboxamide has a molecular weight of 432.92 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-ethyl-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).