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

C20H29ClN4O4S — CID 134373773

IUPAC4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methylsulfonylethyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)NCCS(C)(=O)=O)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C20H29ClN4O4S/c1-20(2,18(26)16-11-15(21)10-13-12-23-24-17(13)16)14-4-7-25(8-5-14)19(27)22-6-9-30(3,28)29/h10-12,14,18,26H,4-9H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyWDTIFXRPFUQLPG-UHFFFAOYSA-N
MW457.00 g/mol
LogP2.74
Rot. Bonds6

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

4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methylsulfonylethyl)piperidine-1-carboxamide (PubChem CID 134373773) has the molecular formula C20H29ClN4O4S and a molecular weight of 457.00 g/mol. Its IUPAC name is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methylsulfonylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methylsulfonylethyl)piperidine-1-carboxamide
PubChem CID134373773
Molecular FormulaC20H29ClN4O4S
Molecular Weight457.00 g/mol
Exact Mass456.16
IUPAC Name4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methylsulfonylethyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)NCCS(C)(=O)=O)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C20H29ClN4O4S/c1-20(2,18(26)16-11-15(21)10-13-12-23-24-17(13)16)14-4-7-25(8-5-14)19(27)22-6-9-30(3,28)29/h10-12,14,18,26H,4-9H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyWDTIFXRPFUQLPG-UHFFFAOYSA-N
XLogP2.74
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-methylsulfonylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methylsulfonylethyl)piperidine-1-carboxamide (CID 134373773) is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methylsulfonylethyl)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-methylsulfonylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methylsulfonylethyl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)NCCS(C)(=O)=O)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methylsulfonylethyl)piperidine-1-carboxamide?
The InChIKey is WDTIFXRPFUQLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O4S/c1-20(2,18(26)16-11-15(21)10-13-12-23-24-17(13)16)14-4-7-25(8-5-14)19(27)22-6-9-30(3,28)29/h10-12,14,18,26H,4-9H2,1-3H3,(H,22,27)(H,23,24).
What are the key properties of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methylsulfonylethyl)piperidine-1-carboxamide?
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methylsulfonylethyl)piperidine-1-carboxamide has a molecular weight of 457.00 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 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-methylsulfonylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 134373773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).