3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide

C25H19ClFN7O — CID 154996395

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1
InChIInChI=1S/C25H19ClFN7O/c1-13(19-4-2-3-9-29-19)31-25(35)23-24(28)33-21(14-5-7-17(27)8-6-14)22(32-23)15-10-16-12-30-34-20(16)18(26)11-15/h2-13H,1H3,(H2,28,33)(H,30,34)(H,31,35)
InChIKeyOWTNAAALMOQJID-UHFFFAOYSA-N
MW487.93 g/mol
LogP4.95
Rot. Bonds5

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide (PubChem CID 154996395) has the molecular formula C25H19ClFN7O and a molecular weight of 487.93 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
PubChem CID154996395
Molecular FormulaC25H19ClFN7O
Molecular Weight487.93 g/mol
Exact Mass487.13
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1
InChIInChI=1S/C25H19ClFN7O/c1-13(19-4-2-3-9-29-19)31-25(35)23-24(28)33-21(14-5-7-17(27)8-6-14)22(32-23)15-10-16-12-30-34-20(16)18(26)11-15/h2-13H,1H3,(H2,28,33)(H,30,34)(H,31,35)
InChIKeyOWTNAAALMOQJID-UHFFFAOYSA-N
XLogP4.95
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.93
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide (CID 154996395) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide is CC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The InChIKey is OWTNAAALMOQJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN7O/c1-13(19-4-2-3-9-29-19)31-25(35)23-24(28)33-21(14-5-7-17(27)8-6-14)22(32-23)15-10-16-12-30-34-20(16)18(26)11-15/h2-13H,1H3,(H2,28,33)(H,30,34)(H,31,35).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide has a molecular weight of 487.93 g/mol, XLogP of 4.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 154996395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).