methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate

C24H26F4N4O5 — CID 118008287

IUPACmethyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(CN(C=O)C2CC(F)CN2C(=O)OC(C)(C)C)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H26F4N4O5/c1-23(2,3)37-22(35)32-11-15(25)7-20(32)31(13-33)12-16-8-17(18(10-29-16)21(34)36-4)14-5-6-19(30-9-14)24(26,27)28/h5-6,8-10,13,15,20H,7,11-12H2,1-4H3
InChIKeyPCVBAABFYXJSKK-UHFFFAOYSA-N
MW526.49 g/mol
LogP4.21
Rot. Bonds6

About methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate

methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate (PubChem CID 118008287) has the molecular formula C24H26F4N4O5 and a molecular weight of 526.49 g/mol. Its IUPAC name is methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate
PubChem CID118008287
Molecular FormulaC24H26F4N4O5
Molecular Weight526.49 g/mol
Exact Mass526.18
IUPAC Namemethyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(CN(C=O)C2CC(F)CN2C(=O)OC(C)(C)C)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H26F4N4O5/c1-23(2,3)37-22(35)32-11-15(25)7-20(32)31(13-33)12-16-8-17(18(10-29-16)21(34)36-4)14-5-6-19(30-9-14)24(26,27)28/h5-6,8-10,13,15,20H,7,11-12H2,1-4H3
InChIKeyPCVBAABFYXJSKK-UHFFFAOYSA-N
XLogP4.21
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate (CID 118008287) is methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate is COC(=O)c1cnc(CN(C=O)C2CC(F)CN2C(=O)OC(C)(C)C)cc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate?
The InChIKey is PCVBAABFYXJSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N4O5/c1-23(2,3)37-22(35)32-11-15(25)7-20(32)31(13-33)12-16-8-17(18(10-29-16)21(34)36-4)14-5-6-19(30-9-14)24(26,27)28/h5-6,8-10,13,15,20H,7,11-12H2,1-4H3.
What are the key properties of methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate?
methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate has a molecular weight of 526.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate is sourced from PubChem (CID 118008287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).