N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide

C20H26N6O4 — CID 86946002

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide
SMILESO=C(NCCN1CCN(C(=O)C2CCCC2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C20H26N6O4/c27-19(18-16-13-15(26(29)30)5-6-17(16)22-23-18)21-7-8-24-9-11-25(12-10-24)20(28)14-3-1-2-4-14/h5-6,13-14H,1-4,7-12H2,(H,21,27)(H,22,23)
InChIKeyHSXMYAAYIXOVSW-UHFFFAOYSA-N
MW414.47 g/mol
LogP1.54
Rot. Bonds6

About N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide (PubChem CID 86946002) has the molecular formula C20H26N6O4 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide
PubChem CID86946002
Molecular FormulaC20H26N6O4
Molecular Weight414.47 g/mol
Exact Mass414.20
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide
SMILESO=C(NCCN1CCN(C(=O)C2CCCC2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C20H26N6O4/c27-19(18-16-13-15(26(29)30)5-6-17(16)22-23-18)21-7-8-24-9-11-25(12-10-24)20(28)14-3-1-2-4-14/h5-6,13-14H,1-4,7-12H2,(H,21,27)(H,22,23)
InChIKeyHSXMYAAYIXOVSW-UHFFFAOYSA-N
XLogP1.54
TPSA124.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119391354
N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
CID 35375238
5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 119510662
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
N-(2-aminoethyl)-1-(5-nitro-1H-indazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479853
N-(3-hydroxybutyl)-5-nitro-1H-indazole-3-carboxamide
CID 111429041
N-[2-[(S)-tert-butylsulfinyl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 95767268
N-[2-[(R)-tert-butylsulfinyl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 95767269
N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide
CID 119475210
N-(3-aminobutyl)-5-nitro-1H-indazole-3-carboxamide
CID 119495670
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
cyclopentyl-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone
CID 23854345

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide (CID 86946002) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide is O=C(NCCN1CCN(C(=O)C2CCCC2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide?
The InChIKey is HSXMYAAYIXOVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4/c27-19(18-16-13-15(26(29)30)5-6-17(16)22-23-18)21-7-8-24-9-11-25(12-10-24)20(28)14-3-1-2-4-14/h5-6,13-14H,1-4,7-12H2,(H,21,27)(H,22,23).
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide is sourced from PubChem (CID 86946002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).