3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

C24H19ClN10O — CID 154604686

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N)c1cccc(C#N)n1
InChIInChI=1S/C24H19ClN10O/c1-12(17-5-3-4-15(10-26)30-17)29-24(36)22-23(27)32-21(18-6-7-35(2)34-18)20(31-22)13-8-14-11-28-33-19(14)16(25)9-13/h3-9,11-12H,1-2H3,(H2,27,32)(H,28,33)(H,29,36)
InChIKeyZEGCLCHFQWMHAR-UHFFFAOYSA-N
MW498.94 g/mol
LogP3.41
Rot. Bonds5

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 154604686) has the molecular formula C24H19ClN10O and a molecular weight of 498.94 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
PubChem CID154604686
Molecular FormulaC24H19ClN10O
Molecular Weight498.94 g/mol
Exact Mass498.14
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N)c1cccc(C#N)n1
InChIInChI=1S/C24H19ClN10O/c1-12(17-5-3-4-15(10-26)30-17)29-24(36)22-23(27)32-21(18-6-7-35(2)34-18)20(31-22)13-8-14-11-28-33-19(14)16(25)9-13/h3-9,11-12H,1-2H3,(H2,27,32)(H,28,33)(H,29,36)
InChIKeyZEGCLCHFQWMHAR-UHFFFAOYSA-N
XLogP3.41
TPSA164.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.94
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 154604686) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is CC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N)c1cccc(C#N)n1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is ZEGCLCHFQWMHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN10O/c1-12(17-5-3-4-15(10-26)30-17)29-24(36)22-23(27)32-21(18-6-7-35(2)34-18)20(31-22)13-8-14-11-28-33-19(14)16(25)9-13/h3-9,11-12H,1-2H3,(H2,27,32)(H,28,33)(H,29,36).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 498.94 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 154604686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).