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

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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).