4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide

C22H25ClFN5O2 — CID 134373286

IUPAC4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2ccc(F)nc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C22H25ClFN5O2/c1-22(2,20(30)17-10-15(23)9-13-11-26-28-19(13)17)14-5-7-29(8-6-14)21(31)27-16-3-4-18(24)25-12-16/h3-4,9-12,14,20,30H,5-8H2,1-2H3,(H,26,28)(H,27,31)/t20-/m1/s1
InChIKeyOTZXXEVXGRFGDF-HXUWFJFHSA-N
MW445.93 g/mol
LogP4.75
Rot. Bonds4

About 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 134373286) has the molecular formula C22H25ClFN5O2 and a molecular weight of 445.93 g/mol. Its IUPAC name is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide
PubChem CID134373286
Molecular FormulaC22H25ClFN5O2
Molecular Weight445.93 g/mol
Exact Mass445.17
IUPAC Name4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2ccc(F)nc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C22H25ClFN5O2/c1-22(2,20(30)17-10-15(23)9-13-11-26-28-19(13)17)14-5-7-29(8-6-14)21(31)27-16-3-4-18(24)25-12-16/h3-4,9-12,14,20,30H,5-8H2,1-2H3,(H,26,28)(H,27,31)/t20-/m1/s1
InChIKeyOTZXXEVXGRFGDF-HXUWFJFHSA-N
XLogP4.75
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide (CID 134373286) is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)Nc2ccc(F)nc2)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-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is OTZXXEVXGRFGDF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25ClFN5O2/c1-22(2,20(30)17-10-15(23)9-13-11-26-28-19(13)17)14-5-7-29(8-6-14)21(31)27-16-3-4-18(24)25-12-16/h3-4,9-12,14,20,30H,5-8H2,1-2H3,(H,26,28)(H,27,31)/t20-/m1/s1.
What are the key properties of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide?
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 445.93 g/mol, XLogP of 4.75, 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-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 134373286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).