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

C24H19ClN10O — CID 154604721

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 154604721) 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-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
• PubChem CID: 154604721
• Molecular Formula: C24H19ClN10O
• Molecular Weight: 498.94 g/mol
• Exact Mass: 498.14
• IUPAC Name: 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
• SMILES: C[C@H](NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N)c1cccc(C#N)n1
• InChI: 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)/t12-/m0/s1
• InChIKey: ZEGCLCHFQWMHAR-LBPRGKRZSA-N
• XLogP: 3.41
• TPSA: 164.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.94
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1S)-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-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 154604721) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1S)-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-[(1S)-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-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is C[C@H](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-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?

The InChIKey is ZEGCLCHFQWMHAR-LBPRGKRZSA-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)/t12-/m0/s1.

What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?

3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1S)-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-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 154604721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).