2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide

C20H15N5O2 — CID 46226284

IUPAC2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(C(=O)Nc4ccncc4)cc3)nc12
InChIInChI=1S/C20H15N5O2/c21-19(26)17-3-1-2-14-12-25(24-18(14)17)16-6-4-13(5-7-16)20(27)23-15-8-10-22-11-9-15/h1-12H,(H2,21,26)(H,22,23,27)
InChIKeyBNJFCNFCPGNRBQ-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.77
Rot. Bonds4

About 2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide

2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide (PubChem CID 46226284) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide
PubChem CID46226284
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(C(=O)Nc4ccncc4)cc3)nc12
InChIInChI=1S/C20H15N5O2/c21-19(26)17-3-1-2-14-12-25(24-18(14)17)16-6-4-13(5-7-16)20(27)23-15-8-10-22-11-9-15/h1-12H,(H2,21,26)(H,22,23,27)
InChIKeyBNJFCNFCPGNRBQ-UHFFFAOYSA-N
XLogP2.77
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide (CID 46226284) is 2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(C(=O)Nc4ccncc4)cc3)nc12.
What is the InChIKey of 2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide?
The InChIKey is BNJFCNFCPGNRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c21-19(26)17-3-1-2-14-12-25(24-18(14)17)16-6-4-13(5-7-16)20(27)23-15-8-10-22-11-9-15/h1-12H,(H2,21,26)(H,22,23,27).
What are the key properties of 2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide?
2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-4-ylcarbamoyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).