1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide

C23H29FN4O2 — CID 26397040

IUPAC1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN4O2/c1-15(29)27-10-8-16(9-11-27)22(30)26-20-12-23(2,3)13-21-19(20)14-25-28(21)18-6-4-17(24)5-7-18/h4-7,14,16,20H,8-13H2,1-3H3,(H,26,30)/t20-/m0/s1
InChIKeyFSQHNCWYVAXNSL-FQEVSTJZSA-N
MW412.51 g/mol
LogP3.40
Rot. Bonds3

About 1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide

1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide (PubChem CID 26397040) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide
PubChem CID26397040
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC Name1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN4O2/c1-15(29)27-10-8-16(9-11-27)22(30)26-20-12-23(2,3)13-21-19(20)14-25-28(21)18-6-4-17(24)5-7-18/h4-7,14,16,20H,8-13H2,1-3H3,(H,26,30)/t20-/m0/s1
InChIKeyFSQHNCWYVAXNSL-FQEVSTJZSA-N
XLogP3.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide (CID 26397040) is 1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide?
The InChIKey is FSQHNCWYVAXNSL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-15(29)27-10-8-16(9-11-27)22(30)26-20-12-23(2,3)13-21-19(20)14-25-28(21)18-6-4-17(24)5-7-18/h4-7,14,16,20H,8-13H2,1-3H3,(H,26,30)/t20-/m0/s1.
What are the key properties of 1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide?
1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 26397040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).