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

C19H24ClF3N4O2 — CID 134373317

IUPAC4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)NCC(F)(F)F)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C19H24ClF3N4O2/c1-18(2,16(28)14-8-13(20)7-11-9-25-26-15(11)14)12-3-5-27(6-4-12)17(29)24-10-19(21,22)23/h7-9,12,16,28H,3-6,10H2,1-2H3,(H,24,29)(H,25,26)/t16-/m1/s1
InChIKeyUBEJTDZXBPWAKE-MRXNPFEDSA-N
MW432.87 g/mol
LogP4.26
Rot. Bonds4

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

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 134373317) has the molecular formula C19H24ClF3N4O2 and a molecular weight of 432.87 g/mol. Its IUPAC name is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID134373317
Molecular FormulaC19H24ClF3N4O2
Molecular Weight432.87 g/mol
Exact Mass432.15
IUPAC Name4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)NCC(F)(F)F)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C19H24ClF3N4O2/c1-18(2,16(28)14-8-13(20)7-11-9-25-26-15(11)14)12-3-5-27(6-4-12)17(29)24-10-19(21,22)23/h7-9,12,16,28H,3-6,10H2,1-2H3,(H,24,29)(H,25,26)/t16-/m1/s1
InChIKeyUBEJTDZXBPWAKE-MRXNPFEDSA-N
XLogP4.26
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 134373317) is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)NCC(F)(F)F)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-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is UBEJTDZXBPWAKE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24ClF3N4O2/c1-18(2,16(28)14-8-13(20)7-11-9-25-26-15(11)14)12-3-5-27(6-4-12)17(29)24-10-19(21,22)23/h7-9,12,16,28H,3-6,10H2,1-2H3,(H,24,29)(H,25,26)/t16-/m1/s1.
What are the key properties of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 432.87 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 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-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 134373317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).