[5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate

C32H38F5N3O4 — CID 144996262

IUPAC[5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate
SMILESCOC=O.O=C(c1cc(C2CC2)c(OCC2CCN(Cc3cc(C(F)(F)F)cc(C4CC4)n3)CC2)cc1F)N1CCC(F)C1
InChIInChI=1S/C30H34F5N3O2.C2H4O2/c31-22-7-10-38(15-22)29(39)25-13-24(19-1-2-19)28(14-26(25)32)40-17-18-5-8-37(9-6-18)16-23-11-21(30(33,34)35)12-27(36-23)20-3-4-20;1-4-2-3/h11-14,18-20,22H,1-10,15-17H2;2H,1H3
InChIKeyVEBSOWJRGFHKQG-UHFFFAOYSA-N
MW623.66 g/mol
LogP6.26
Rot. Bonds9

About [5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate

[5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate (PubChem CID 144996262) has the molecular formula C32H38F5N3O4 and a molecular weight of 623.66 g/mol. Its IUPAC name is [5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate.

Molecular Properties

Compound Name[5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate
PubChem CID144996262
Molecular FormulaC32H38F5N3O4
Molecular Weight623.66 g/mol
Exact Mass623.28
IUPAC Name[5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate
SMILESCOC=O.O=C(c1cc(C2CC2)c(OCC2CCN(Cc3cc(C(F)(F)F)cc(C4CC4)n3)CC2)cc1F)N1CCC(F)C1
InChIInChI=1S/C30H34F5N3O2.C2H4O2/c31-22-7-10-38(15-22)29(39)25-13-24(19-1-2-19)28(14-26(25)32)40-17-18-5-8-37(9-6-18)16-23-11-21(30(33,34)35)12-27(36-23)20-3-4-20;1-4-2-3/h11-14,18-20,22H,1-10,15-17H2;2H,1H3
InChIKeyVEBSOWJRGFHKQG-UHFFFAOYSA-N
XLogP6.26
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.66
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate with MolForge

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Related Compounds

5-cyclopropyl-4-((1-((6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl)methyl)piperidin-4-yl)methoxy)-N-(ethylsulfonyl)-2-fluorobenzamide
CID 118120567
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]methyl]piperidin-4-yl]methoxy]-2-fluorobenzamide
CID 118120580
(R)-5-cyclopropyl-4-((1-((6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl)methyl)piperidin-3-yl)oxy)-2-fluoro-N-(methylsulfonyl)benzamide
CID 118120661
5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]methyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118120672
5-cyclopropyl-4-((1-((6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl)methyl)piperidin-4-yl)methoxy)-2-fluoro-N-(methylsulfonyl)benzamide
CID 118120682
Synthesis of 5-cyclopropyl-2-fluoro-N-(methylsulfonyl)-4-((1-(6-(trifluoromethyl)pyridin-2-yl)piperidin-4-yl)methoxy)benzamide
CID 118120702
5-cyclopropyl-2-fluoro-4-[[1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpiperidin-4-yl]methoxy]-N-methylsulfonylbenzamide
CID 118120747
[6-(1-Methylpyrrolidin-3-yl)pyridin-2-yl]-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 44188615
methyl 2-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-cyclopropylpyridin-3-yl]-2-fluoro-4-methoxyphenyl]acetate
CID 57576247
1-[2-Methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 59053855
2-Methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one
CID 59053909
N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide
CID 59053966

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate?
The IUPAC name of [5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate (CID 144996262) is [5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate.
What is the SMILES notation for [5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate?
The canonical SMILES for [5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate is COC=O.O=C(c1cc(C2CC2)c(OCC2CCN(Cc3cc(C(F)(F)F)cc(C4CC4)n3)CC2)cc1F)N1CCC(F)C1.
What is the InChIKey of [5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate?
The InChIKey is VEBSOWJRGFHKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F5N3O2.C2H4O2/c31-22-7-10-38(15-22)29(39)25-13-24(19-1-2-19)28(14-26(25)32)40-17-18-5-8-37(9-6-18)16-23-11-21(30(33,34)35)12-27(36-23)20-3-4-20;1-4-2-3/h11-14,18-20,22H,1-10,15-17H2;2H,1H3.
What are the key properties of [5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate?
[5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate has a molecular weight of 623.66 g/mol, XLogP of 6.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorophenyl]-(3-fluoropyrrolidin-1-yl)methanone;methyl formate is sourced from PubChem (CID 144996262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).