1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide

C21H24F2N4O2 — CID 24794165

IUPAC1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C21H24F2N4O2/c1-13(28)26-7-5-14(6-8-26)21(29)25-19-3-2-4-20-18(19)12-24-27(20)17-10-15(22)9-16(23)11-17/h9-12,14,19H,2-8H2,1H3,(H,25,29)
InChIKeyMDJDVAGCLHOUKA-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.90
Rot. Bonds3

About 1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide

1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide (PubChem CID 24794165) has the molecular formula C21H24F2N4O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide
PubChem CID24794165
Molecular FormulaC21H24F2N4O2
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C21H24F2N4O2/c1-13(28)26-7-5-14(6-8-26)21(29)25-19-3-2-4-20-18(19)12-24-27(20)17-10-15(22)9-16(23)11-17/h9-12,14,19H,2-8H2,1H3,(H,25,29)
InChIKeyMDJDVAGCLHOUKA-UHFFFAOYSA-N
XLogP2.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 72864626
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxyacetamide
CID 97125555
N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 166631798
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide
CID 97140880
1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea
CID 72856967
1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide
CID 26397040
N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopentanecarboxamide
CID 25384334
N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide
CID 42245579
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methoxyhexanamide
CID 97132643
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 24791231
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
(4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole
CID 97128287

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide (CID 24794165) is 1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide?
The InChIKey is MDJDVAGCLHOUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O2/c1-13(28)26-7-5-14(6-8-26)21(29)25-19-3-2-4-20-18(19)12-24-27(20)17-10-15(22)9-16(23)11-17/h9-12,14,19H,2-8H2,1H3,(H,25,29).
What are the key properties of 1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide?
1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 24794165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).