4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide

C24H25ClFN5O2 — CID 134373545

IUPAC4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1)[C@H](O)c1c(F)c(Cl)cc2cn[nH]c12
InChIInChI=1S/C24H25ClFN5O2/c1-24(2,22(32)19-20(26)18(25)11-15-13-28-30-21(15)19)16-7-9-31(10-8-16)23(33)29-17-5-3-14(12-27)4-6-17/h3-6,11,13,16,22,32H,7-10H2,1-2H3,(H,28,30)(H,29,33)/t22-/m1/s1
InChIKeyCEQQSHPWIXKYGI-JOCHJYFZSA-N
MW469.95 g/mol
LogP5.23
Rot. Bonds4

About 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide

4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide (PubChem CID 134373545) has the molecular formula C24H25ClFN5O2 and a molecular weight of 469.95 g/mol. Its IUPAC name is 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide
PubChem CID134373545
Molecular FormulaC24H25ClFN5O2
Molecular Weight469.95 g/mol
Exact Mass469.17
IUPAC Name4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1)[C@H](O)c1c(F)c(Cl)cc2cn[nH]c12
InChIInChI=1S/C24H25ClFN5O2/c1-24(2,22(32)19-20(26)18(25)11-15-13-28-30-21(15)19)16-7-9-31(10-8-16)23(33)29-17-5-3-14(12-27)4-6-17/h3-6,11,13,16,22,32H,7-10H2,1-2H3,(H,28,30)(H,29,33)/t22-/m1/s1
InChIKeyCEQQSHPWIXKYGI-JOCHJYFZSA-N
XLogP5.23
TPSA105.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.95
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide (CID 134373545) is 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1)[C@H](O)c1c(F)c(Cl)cc2cn[nH]c12.
What is the InChIKey of 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide?
The InChIKey is CEQQSHPWIXKYGI-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25ClFN5O2/c1-24(2,22(32)19-20(26)18(25)11-15-13-28-30-21(15)19)16-7-9-31(10-8-16)23(33)29-17-5-3-14(12-27)4-6-17/h3-6,11,13,16,22,32H,7-10H2,1-2H3,(H,28,30)(H,29,33)/t22-/m1/s1.
What are the key properties of 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide?
4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide has a molecular weight of 469.95 g/mol, XLogP of 5.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-cyanophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 134373545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).