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

C24H28ClFN4O2 — CID 160964187

IUPAC4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c(F)c1
InChIInChI=1S/C24H28ClFN4O2/c1-14-4-5-20(19(26)10-14)28-23(32)30-8-6-16(7-9-30)24(2,3)22(31)18-12-17(25)11-15-13-27-29-21(15)18/h4-5,10-13,16,22,31H,6-9H2,1-3H3,(H,27,29)(H,28,32)
InChIKeyLAJPYPOCJGGMNO-UHFFFAOYSA-N
MW458.97 g/mol
LogP5.67
Rot. Bonds4

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

4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide (PubChem CID 160964187) has the molecular formula C24H28ClFN4O2 and a molecular weight of 458.97 g/mol. Its IUPAC name is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide
PubChem CID160964187
Molecular FormulaC24H28ClFN4O2
Molecular Weight458.97 g/mol
Exact Mass458.19
IUPAC Name4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c(F)c1
InChIInChI=1S/C24H28ClFN4O2/c1-14-4-5-20(19(26)10-14)28-23(32)30-8-6-16(7-9-30)24(2,3)22(31)18-12-17(25)11-15-13-27-29-21(15)18/h4-5,10-13,16,22,31H,6-9H2,1-3H3,(H,27,29)(H,28,32)
InChIKeyLAJPYPOCJGGMNO-UHFFFAOYSA-N
XLogP5.67
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 134373872
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide
CID 134373675
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 134410293
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 134373824
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyanomethyl)piperidine-1-carboxamide
CID 142311847
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide
CID 134373310
1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one
CID 134373837
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-carboxamide
CID 139528414
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide
CID 134374103
1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 134373971
[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-sulfinyl-1,4-thiazinan-4-yl)methanone
CID 139532873
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide
CID 158573725

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide (CID 160964187) is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c(F)c1.
What is the InChIKey of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is LAJPYPOCJGGMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4O2/c1-14-4-5-20(19(26)10-14)28-23(32)30-8-6-16(7-9-30)24(2,3)22(31)18-12-17(25)11-15-13-27-29-21(15)18/h4-5,10-13,16,22,31H,6-9H2,1-3H3,(H,27,29)(H,28,32).
What are the key properties of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide?
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 458.97 g/mol, XLogP of 5.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 160964187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).