2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide

C18H18N4O — CID 44549378

IUPAC2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(C4CCCN4)cc3)nc12
InChIInChI=1S/C18H18N4O/c19-18(23)15-4-1-3-13-11-22(21-17(13)15)14-8-6-12(7-9-14)16-5-2-10-20-16/h1,3-4,6-9,11,16,20H,2,5,10H2,(H2,19,23)
InChIKeyYIUJUFFZJHPDAY-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.55
Rot. Bonds3

About 2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide

2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide (PubChem CID 44549378) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide.

Molecular Properties

Compound Name2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide
PubChem CID44549378
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(C4CCCN4)cc3)nc12
InChIInChI=1S/C18H18N4O/c19-18(23)15-4-1-3-13-11-22(21-17(13)15)14-8-6-12(7-9-14)16-5-2-10-20-16/h1,3-4,6-9,11,16,20H,2,5,10H2,(H2,19,23)
InChIKeyYIUJUFFZJHPDAY-UHFFFAOYSA-N
XLogP2.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide?
The IUPAC name of 2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide (CID 44549378) is 2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide.
What is the SMILES notation for 2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide?
The canonical SMILES for 2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(C4CCCN4)cc3)nc12.
What is the InChIKey of 2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide?
The InChIKey is YIUJUFFZJHPDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-18(23)15-4-1-3-13-11-22(21-17(13)15)14-8-6-12(7-9-14)16-5-2-10-20-16/h1,3-4,6-9,11,16,20H,2,5,10H2,(H2,19,23).
What are the key properties of 2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide?
2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-2-ylphenyl)indazole-7-carboxamide is sourced from PubChem (CID 44549378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).