N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide

C20H20FN5O3 — CID 86966221

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)C2)c1
InChIInChI=1S/C20H20FN5O3/c1-12-4-6-16(21)18(9-12)25-8-2-3-13(11-25)22-20(27)19-15-10-14(26(28)29)5-7-17(15)23-24-19/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,22,27)(H,23,24)
InChIKeyHMQZDOFVZNYGCA-UHFFFAOYSA-N
MW397.41 g/mol
LogP3.32
Rot. Bonds4

About N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide (PubChem CID 86966221) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide
PubChem CID86966221
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)C2)c1
InChIInChI=1S/C20H20FN5O3/c1-12-4-6-16(21)18(9-12)25-8-2-3-13(11-25)22-20(27)19-15-10-14(26(28)29)5-7-17(15)23-24-19/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,22,27)(H,23,24)
InChIKeyHMQZDOFVZNYGCA-UHFFFAOYSA-N
XLogP3.32
TPSA104.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
CID 35375238
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methylsulfonyl-5-nitrobenzamide
CID 86965282
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-methyl-3-nitrobenzamide
CID 86965404
N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide
CID 119475210
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 86966242
2-(5-fluoro-1H-indol-3-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]acetamide
CID 86965249
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 86966207
N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide
CID 35413572
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide
CID 78868865
N-[(1S,2S,3R,4S)-3-carbamoyl-2-bicyclo[2.2.1]heptanyl]-5-nitro-1H-indazole-3-carboxamide
CID 100852100

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide (CID 86966221) is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide is Cc1ccc(F)c(N2CCCC(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)C2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide?
The InChIKey is HMQZDOFVZNYGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-12-4-6-16(21)18(9-12)25-8-2-3-13(11-25)22-20(27)19-15-10-14(26(28)29)5-7-17(15)23-24-19/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,22,27)(H,23,24).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide is sourced from PubChem (CID 86966221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).