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

C23H20ClN9O — CID 154996393

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N)c1ccccn1
InChIInChI=1S/C23H20ClN9O/c1-12(16-5-3-4-7-26-16)28-23(34)21-22(25)30-20(17-6-8-33(2)32-17)19(29-21)13-9-14-11-27-31-18(14)15(24)10-13/h3-12H,1-2H3,(H2,25,30)(H,27,31)(H,28,34)
InChIKeyFGBCLFQMGFBTTA-UHFFFAOYSA-N
MW473.93 g/mol
LogP3.54
Rot. Bonds5

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide (PubChem CID 154996393) has the molecular formula C23H20ClN9O and a molecular weight of 473.93 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
PubChem CID154996393
Molecular FormulaC23H20ClN9O
Molecular Weight473.93 g/mol
Exact Mass473.15
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N)c1ccccn1
InChIInChI=1S/C23H20ClN9O/c1-12(16-5-3-4-7-26-16)28-23(34)21-22(25)30-20(17-6-8-33(2)32-17)19(29-21)13-9-14-11-27-31-18(14)15(24)10-13/h3-12H,1-2H3,(H2,25,30)(H,27,31)(H,28,34)
InChIKeyFGBCLFQMGFBTTA-UHFFFAOYSA-N
XLogP3.54
TPSA140.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.93
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide (CID 154996393) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide is CC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N)c1ccccn1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The InChIKey is FGBCLFQMGFBTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN9O/c1-12(16-5-3-4-7-26-16)28-23(34)21-22(25)30-20(17-6-8-33(2)32-17)19(29-21)13-9-14-11-27-31-18(14)15(24)10-13/h3-12H,1-2H3,(H2,25,30)(H,27,31)(H,28,34).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide has a molecular weight of 473.93 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 154996393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).