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

C20H21N5O2 — CID 46226285

IUPAC2-[4-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(C(=O)N4CCCNCC4)cc3)nc12
InChIInChI=1S/C20H21N5O2/c21-19(26)17-4-1-3-15-13-25(23-18(15)17)16-7-5-14(6-8-16)20(27)24-11-2-9-22-10-12-24/h1,3-8,13,22H,2,9-12H2,(H2,21,26)
InChIKeyPDRUYQAWRBGOQZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.56
Rot. Bonds3

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

2-[4-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide (PubChem CID 46226285) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[4-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide
PubChem CID46226285
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[4-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(C(=O)N4CCCNCC4)cc3)nc12
InChIInChI=1S/C20H21N5O2/c21-19(26)17-4-1-3-15-13-25(23-18(15)17)16-7-5-14(6-8-16)20(27)24-11-2-9-22-10-12-24/h1,3-8,13,22H,2,9-12H2,(H2,21,26)
InChIKeyPDRUYQAWRBGOQZ-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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Related Compounds

Niraparib
CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
2-phenyl-2H-indazole-7-carboxamide
CID 44549251
2-Benzyl-2H-indazole-7-carboxamide
CID 44549372
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
c-Niraparib
CID 124081212
3-{4-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11384601
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
10-(2-Aminoethylamino)-14-[(2-aminoethylamino)methyl]-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 9998017
10-[2-(Dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 10454027
n-Phenyl-1h-indazole-5-carboxamide
CID 22933429
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide (CID 46226285) is 2-[4-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(C(=O)N4CCCNCC4)cc3)nc12.
What is the InChIKey of 2-[4-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide?
The InChIKey is PDRUYQAWRBGOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-19(26)17-4-1-3-15-13-25(23-18(15)17)16-7-5-14(6-8-16)20(27)24-11-2-9-22-10-12-24/h1,3-8,13,22H,2,9-12H2,(H2,21,26).
What are the key properties of 2-[4-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide?
2-[4-(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-[4-(1,4-diazepane-1-carbonyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).