1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C26H28FN5O2 — CID 55502112

IUPAC1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C26H28FN5O2/c27-18-10-12-21(13-11-18)32-23-9-5-4-8-22(23)24(30-32)25(33)28-20-14-16-31(17-15-20)26(34)29-19-6-2-1-3-7-19/h1-3,6-7,10-13,20H,4-5,8-9,14-17H2,(H,28,33)(H,29,34)
InChIKeyMRVFMUZCZSUABN-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.32
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 55502112) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID55502112
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C26H28FN5O2/c27-18-10-12-21(13-11-18)32-23-9-5-4-8-22(23)24(30-32)25(33)28-20-14-16-31(17-15-20)26(34)29-19-6-2-1-3-7-19/h1-3,6-7,10-13,20H,4-5,8-9,14-17H2,(H,28,33)(H,29,34)
InChIKeyMRVFMUZCZSUABN-UHFFFAOYSA-N
XLogP4.32
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
methyl 4-[(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 86841540
1-(4-fluorophenyl)-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55863905
1-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55858352
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 75495801
1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55705431
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46453271
4-fluoro-N-[1-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 60511625
1-phenyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119450844
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
N-(3-acetamidophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 18224743
N-(3-bromophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581187

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 55502112) is 1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide is O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1nn(-c2ccc(F)cc2)c2c1CCCC2.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is MRVFMUZCZSUABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c27-18-10-12-21(13-11-18)32-23-9-5-4-8-22(23)24(30-32)25(33)28-20-14-16-31(17-15-20)26(34)29-19-6-2-1-3-7-19/h1-3,6-7,10-13,20H,4-5,8-9,14-17H2,(H,28,33)(H,29,34).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 55502112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).