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4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

C24H28ClFN4O2 — CID 134373824

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)NCc2ccc(F)cc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C24H28ClFN4O2/c1-24(2,22(31)20-12-18(25)11-16-14-28-29-21(16)20)17-7-9-30(10-8-17)23(32)27-13-15-3-5-19(26)6-4-15/h3-6,11-12,14,17,22,31H,7-10,13H2,1-2H3,(H,27,32)(H,28,29)/t22-/m1/s1
InChIKeyVSGDUEPEBPMAKK-JOCHJYFZSA-N
MW458.97 g/mol
LogP5.04
Rot. Bonds5

About 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 134373824) has the molecular formula C24H28ClFN4O2 and a molecular weight of 458.97 g/mol. Its IUPAC name is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID134373824
Molecular FormulaC24H28ClFN4O2
Molecular Weight458.97 g/mol
Exact Mass458.19
IUPAC Name4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)NCc2ccc(F)cc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C24H28ClFN4O2/c1-24(2,22(31)20-12-18(25)11-16-14-28-29-21(16)20)17-7-9-30(10-8-17)23(32)27-13-15-3-5-19(26)6-4-15/h3-6,11-12,14,17,22,31H,7-10,13H2,1-2H3,(H,27,32)(H,28,29)/t22-/m1/s1
InChIKeyVSGDUEPEBPMAKK-JOCHJYFZSA-N
XLogP5.04
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (CID 134373824) is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)NCc2ccc(F)cc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is VSGDUEPEBPMAKK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28ClFN4O2/c1-24(2,22(31)20-12-18(25)11-16-14-28-29-21(16)20)17-7-9-30(10-8-17)23(32)27-13-15-3-5-19(26)6-4-15/h3-6,11-12,14,17,22,31H,7-10,13H2,1-2H3,(H,27,32)(H,28,29)/t22-/m1/s1.
What are the key properties of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 458.97 g/mol, XLogP of 5.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 134373824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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