3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide

C27H21ClN8O — CID 154604800

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESCc1c(C#N)cccc1-c1nc(N)c(C(=O)NC(C)c2ccccn2)nc1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C27H21ClN8O/c1-14-16(12-29)6-5-7-19(14)24-23(17-10-18-13-32-36-22(18)20(28)11-17)34-25(26(30)35-24)27(37)33-15(2)21-8-3-4-9-31-21/h3-11,13,15H,1-2H3,(H2,30,35)(H,32,36)(H,33,37)
InChIKeyHCDJOFCLYQUMAP-UHFFFAOYSA-N
MW508.97 g/mol
LogP4.99
Rot. Bonds5

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide (PubChem CID 154604800) has the molecular formula C27H21ClN8O and a molecular weight of 508.97 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
PubChem CID154604800
Molecular FormulaC27H21ClN8O
Molecular Weight508.97 g/mol
Exact Mass508.15
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESCc1c(C#N)cccc1-c1nc(N)c(C(=O)NC(C)c2ccccn2)nc1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C27H21ClN8O/c1-14-16(12-29)6-5-7-19(14)24-23(17-10-18-13-32-36-22(18)20(28)11-17)34-25(26(30)35-24)27(37)33-15(2)21-8-3-4-9-31-21/h3-11,13,15H,1-2H3,(H2,30,35)(H,32,36)(H,33,37)
InChIKeyHCDJOFCLYQUMAP-UHFFFAOYSA-N
XLogP4.99
TPSA146.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.97
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 154996395
3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
CID 70685429
3-amino-6-(8-chloroquinolin-6-yl)-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 154604322
3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide
CID 67433984
US10030016, Example 426
CID 68160996
US10301284, Example 76
CID 134178075
US10301284, Example 95
CID 134178112
US10301284, Example 130
CID 134178150
US10301284, Example 129
CID 134178160
US10301284, Example 25
CID 134178214
US10301284, Example 49
CID 134178279
US10301284, Example 21
CID 134178483

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide (CID 154604800) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide is Cc1c(C#N)cccc1-c1nc(N)c(C(=O)NC(C)c2ccccn2)nc1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The InChIKey is HCDJOFCLYQUMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN8O/c1-14-16(12-29)6-5-7-19(14)24-23(17-10-18-13-32-36-22(18)20(28)11-17)34-25(26(30)35-24)27(37)33-15(2)21-8-3-4-9-31-21/h3-11,13,15H,1-2H3,(H2,30,35)(H,32,36)(H,33,37).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide has a molecular weight of 508.97 g/mol, XLogP of 4.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 154604800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).