(2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide

C24H26F7N5O4 — CID 167375048

IUPAC(2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NC4CCC(O)(C(F)(F)F)CC4)C[C@H]3C(F)(F)F)[nH]n2)c(F)cn1
InChIInChI=1S/C24H26F7N5O4/c1-40-19-9-14(15(25)11-32-19)16-10-17(35-34-16)21(38)36-7-4-12(8-18(36)23(26,27)28)20(37)33-13-2-5-22(39,6-3-13)24(29,30)31/h9-13,18,39H,2-8H2,1H3,(H,33,37)(H,34,35)/t12-,13?,18-,22?/m0/s1
InChIKeyOBLOMICDLCOFPF-DVCKHGRDSA-N
MW581.49 g/mol
LogP3.75
Rot. Bonds5

About (2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide

(2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide (PubChem CID 167375048) has the molecular formula C24H26F7N5O4 and a molecular weight of 581.49 g/mol. Its IUPAC name is (2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide
PubChem CID167375048
Molecular FormulaC24H26F7N5O4
Molecular Weight581.49 g/mol
Exact Mass581.19
IUPAC Name(2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NC4CCC(O)(C(F)(F)F)CC4)C[C@H]3C(F)(F)F)[nH]n2)c(F)cn1
InChIInChI=1S/C24H26F7N5O4/c1-40-19-9-14(15(25)11-32-19)16-10-17(35-34-16)21(38)36-7-4-12(8-18(36)23(26,27)28)20(37)33-13-2-5-22(39,6-3-13)24(29,30)31/h9-13,18,39H,2-8H2,1H3,(H,33,37)(H,34,35)/t12-,13?,18-,22?/m0/s1
InChIKeyOBLOMICDLCOFPF-DVCKHGRDSA-N
XLogP3.75
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.49
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide (CID 167375048) is (2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide is COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NC4CCC(O)(C(F)(F)F)CC4)C[C@H]3C(F)(F)F)[nH]n2)c(F)cn1.
What is the InChIKey of (2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide?
The InChIKey is OBLOMICDLCOFPF-DVCKHGRDSA-N. The full InChI is InChI=1S/C24H26F7N5O4/c1-40-19-9-14(15(25)11-32-19)16-10-17(35-34-16)21(38)36-7-4-12(8-18(36)23(26,27)28)20(37)33-13-2-5-22(39,6-3-13)24(29,30)31/h9-13,18,39H,2-8H2,1H3,(H,33,37)(H,34,35)/t12-,13?,18-,22?/m0/s1.
What are the key properties of (2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide?
(2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide has a molecular weight of 581.49 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide is sourced from PubChem (CID 167375048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).