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

C24H20N10O — CID 164607282

IUPAC3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1nc(-c2ccc3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N)c1cccc(C#N)n1
InChIInChI=1S/C24H20N10O/c1-13(17-5-3-4-16(11-25)29-17)28-24(35)22-23(26)31-21(19-8-9-34(2)33-19)20(30-22)14-6-7-18-15(10-14)12-27-32-18/h3-10,12-13H,1-2H3,(H2,26,31)(H,27,32)(H,28,35)/t13-/m0/s1
InChIKeyVFAZUFKRAKNYAS-ZDUSSCGKSA-N
MW464.49 g/mol
LogP2.76
Rot. Bonds5

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

3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 164607282) has the molecular formula C24H20N10O and a molecular weight of 464.49 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
PubChem CID164607282
Molecular FormulaC24H20N10O
Molecular Weight464.49 g/mol
Exact Mass464.18
IUPAC Name3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1nc(-c2ccc3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N)c1cccc(C#N)n1
InChIInChI=1S/C24H20N10O/c1-13(17-5-3-4-16(11-25)29-17)28-24(35)22-23(26)31-21(19-8-9-34(2)33-19)20(30-22)14-6-7-18-15(10-14)12-27-32-18/h3-10,12-13H,1-2H3,(H2,26,31)(H,27,32)(H,28,35)/t13-/m0/s1
InChIKeyVFAZUFKRAKNYAS-ZDUSSCGKSA-N
XLogP2.76
TPSA164.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 164607282) is 3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is C[C@H](NC(=O)c1nc(-c2ccc3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N)c1cccc(C#N)n1.
What is the InChIKey of 3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is VFAZUFKRAKNYAS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H20N10O/c1-13(17-5-3-4-16(11-25)29-17)28-24(35)22-23(26)31-21(19-8-9-34(2)33-19)20(30-22)14-6-7-18-15(10-14)12-27-32-18/h3-10,12-13H,1-2H3,(H2,26,31)(H,27,32)(H,28,35)/t13-/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-6-(1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 164607282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).