2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide

C20H21N5O2 — CID 46226301

IUPAC2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCCC4)cc3)nc12
InChIInChI=1S/C20H21N5O2/c21-20(27)17-5-3-4-14-12-25(23-19(14)17)16-8-6-15(7-9-16)22-18(26)13-24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2,(H2,21,27)(H,22,26)
InChIKeyAPVONESTVYOERI-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.16
Rot. Bonds5

About 2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide

2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide (PubChem CID 46226301) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide
PubChem CID46226301
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCCC4)cc3)nc12
InChIInChI=1S/C20H21N5O2/c21-20(27)17-5-3-4-14-12-25(23-19(14)17)16-8-6-15(7-9-16)22-18(26)13-24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2,(H2,21,27)(H,22,26)
InChIKeyAPVONESTVYOERI-UHFFFAOYSA-N
XLogP2.16
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide (CID 46226301) is 2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCCC4)cc3)nc12.
What is the InChIKey of 2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide?
The InChIKey is APVONESTVYOERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-20(27)17-5-3-4-14-12-25(23-19(14)17)16-8-6-15(7-9-16)22-18(26)13-24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2,(H2,21,27)(H,22,26).
What are the key properties of 2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide?
2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).