2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide

C20H21N5O2 — CID 46226286

IUPAC2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3cccc(C(=O)N4CCCNCC4)c3)nc12
InChIInChI=1S/C20H21N5O2/c21-19(26)17-7-2-5-15-13-25(23-18(15)17)16-6-1-4-14(12-16)20(27)24-10-3-8-22-9-11-24/h1-2,4-7,12-13,22H,3,8-11H2,(H2,21,26)
InChIKeyAPHGQDAJPZCXQQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.56
Rot. Bonds3

About 2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide

2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide (PubChem CID 46226286) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide
PubChem CID46226286
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3cccc(C(=O)N4CCCNCC4)c3)nc12
InChIInChI=1S/C20H21N5O2/c21-19(26)17-7-2-5-15-13-25(23-18(15)17)16-6-1-4-14(12-16)20(27)24-10-3-8-22-9-11-24/h1-2,4-7,12-13,22H,3,8-11H2,(H2,21,26)
InChIKeyAPHGQDAJPZCXQQ-UHFFFAOYSA-N
XLogP1.56
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide (CID 46226286) is 2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3cccc(C(=O)N4CCCNCC4)c3)nc12.
What is the InChIKey of 2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide?
The InChIKey is APHGQDAJPZCXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-19(26)17-7-2-5-15-13-25(23-18(15)17)16-6-1-4-14(12-16)20(27)24-10-3-8-22-9-11-24/h1-2,4-7,12-13,22H,3,8-11H2,(H2,21,26).
What are the key properties of 2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide?
2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).