4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide

C23H26ClFN4O2 — CID 134373430

IUPAC4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2cccc(F)c2)CC1)[C@@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H26ClFN4O2/c1-23(2,21(30)19-11-16(24)10-14-13-26-28-20(14)19)15-6-8-29(9-7-15)22(31)27-18-5-3-4-17(25)12-18/h3-5,10-13,15,21,30H,6-9H2,1-2H3,(H,26,28)(H,27,31)/t21-/m0/s1
InChIKeyDHKSWLKIHICCTG-NRFANRHFSA-N
MW444.94 g/mol
LogP5.36
Rot. Bonds4

About 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide

4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 134373430) has the molecular formula C23H26ClFN4O2 and a molecular weight of 444.94 g/mol. Its IUPAC name is 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID134373430
Molecular FormulaC23H26ClFN4O2
Molecular Weight444.94 g/mol
Exact Mass444.17
IUPAC Name4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2cccc(F)c2)CC1)[C@@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H26ClFN4O2/c1-23(2,21(30)19-11-16(24)10-14-13-26-28-20(14)19)15-6-8-29(9-7-15)22(31)27-18-5-3-4-17(25)12-18/h3-5,10-13,15,21,30H,6-9H2,1-2H3,(H,26,28)(H,27,31)/t21-/m0/s1
InChIKeyDHKSWLKIHICCTG-NRFANRHFSA-N
XLogP5.36
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.94
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide (CID 134373430) is 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)Nc2cccc(F)c2)CC1)[C@@H](O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is DHKSWLKIHICCTG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26ClFN4O2/c1-23(2,21(30)19-11-16(24)10-14-13-26-28-20(14)19)15-6-8-29(9-7-15)22(31)27-18-5-3-4-17(25)12-18/h3-5,10-13,15,21,30H,6-9H2,1-2H3,(H,26,28)(H,27,31)/t21-/m0/s1.
What are the key properties of 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 444.94 g/mol, XLogP of 5.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 134373430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).