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

C21H17N5O2 — CID 46226283

IUPAC2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(C(=O)NCc4ccncc4)cc3)nc12
InChIInChI=1S/C21H17N5O2/c22-20(27)18-3-1-2-16-13-26(25-19(16)18)17-6-4-15(5-7-17)21(28)24-12-14-8-10-23-11-9-14/h1-11,13H,12H2,(H2,22,27)(H,24,28)
InChIKeyLPUWTXNWOOQQNV-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.45
Rot. Bonds5

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

2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide (PubChem CID 46226283) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide
PubChem CID46226283
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(C(=O)NCc4ccncc4)cc3)nc12
InChIInChI=1S/C21H17N5O2/c22-20(27)18-3-1-2-16-13-26(25-19(16)18)17-6-4-15(5-7-17)21(28)24-12-14-8-10-23-11-9-14/h1-11,13H,12H2,(H2,22,27)(H,24,28)
InChIKeyLPUWTXNWOOQQNV-UHFFFAOYSA-N
XLogP2.45
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.45
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-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide (CID 46226283) is 2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(C(=O)NCc4ccncc4)cc3)nc12.
What is the InChIKey of 2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide?
The InChIKey is LPUWTXNWOOQQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c22-20(27)18-3-1-2-16-13-26(25-19(16)18)17-6-4-15(5-7-17)21(28)24-12-14-8-10-23-11-9-14/h1-11,13H,12H2,(H2,22,27)(H,24,28).
What are the key properties of 2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide?
2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).