3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid

C33H36F2N2O4 — CID 118037584

IUPAC3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid
SMILESCC(C)Oc1cc(-c2ccc(F)cc2F)c(C2CC2)cc1CN1CCC(n2ccc(C(=O)O)c(C3CC3)c2=O)CC1
InChIInChI=1S/C33H36F2N2O4/c1-19(2)41-30-17-28(25-8-7-23(34)16-29(25)35)27(20-3-4-20)15-22(30)18-36-12-9-24(10-13-36)37-14-11-26(33(39)40)31(32(37)38)21-5-6-21/h7-8,11,14-17,19-21,24H,3-6,9-10,12-13,18H2,1-2H3,(H,39,40)
InChIKeyJOFZUOLXOUEAEN-UHFFFAOYSA-N
MW562.66 g/mol
LogP6.87
Rot. Bonds9

About 3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid

3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid (PubChem CID 118037584) has the molecular formula C33H36F2N2O4 and a molecular weight of 562.66 g/mol. Its IUPAC name is 3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid
PubChem CID118037584
Molecular FormulaC33H36F2N2O4
Molecular Weight562.66 g/mol
Exact Mass562.26
IUPAC Name3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid
SMILESCC(C)Oc1cc(-c2ccc(F)cc2F)c(C2CC2)cc1CN1CCC(n2ccc(C(=O)O)c(C3CC3)c2=O)CC1
InChIInChI=1S/C33H36F2N2O4/c1-19(2)41-30-17-28(25-8-7-23(34)16-29(25)35)27(20-3-4-20)15-22(30)18-36-12-9-24(10-13-36)37-14-11-26(33(39)40)31(32(37)38)21-5-6-21/h7-8,11,14-17,19-21,24H,3-6,9-10,12-13,18H2,1-2H3,(H,39,40)
InChIKeyJOFZUOLXOUEAEN-UHFFFAOYSA-N
XLogP6.87
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.66
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-3-ethyl-2-oxopyridine-4-carboxylic acid
CID 118037888
4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one
CID 144836963
1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-ethoxy-3-fluorophenyl]methyl]piperidin-4-yl]-3-ethyl-2-oxopyridine-4-carboxylic acid
CID 118037906
1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-methoxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid
CID 118037510
1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one
CID 118038127
4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid
CID 171115826
1-[(2-chloro-4-fluorophenyl)methyl]piperidine;methyl 5-cyclopropyl-2-fluoro-4-methoxybenzoate
CID 144850808
methyl 3-chloro-5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxybenzoate
CID 118037881
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 56910155
2-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725201
1-[(2-chloro-4-fluorophenyl)methyl]piperidine;5-cyclopropyl-2-fluoro-4-hydroxybenzoic acid
CID 145194200
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-fluorobenzoic acid
CID 107907543

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid (CID 118037584) is 3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid is CC(C)Oc1cc(-c2ccc(F)cc2F)c(C2CC2)cc1CN1CCC(n2ccc(C(=O)O)c(C3CC3)c2=O)CC1.
What is the InChIKey of 3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is JOFZUOLXOUEAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F2N2O4/c1-19(2)41-30-17-28(25-8-7-23(34)16-29(25)35)27(20-3-4-20)15-22(30)18-36-12-9-24(10-13-36)37-14-11-26(33(39)40)31(32(37)38)21-5-6-21/h7-8,11,14-17,19-21,24H,3-6,9-10,12-13,18H2,1-2H3,(H,39,40).
What are the key properties of 3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid?
3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid has a molecular weight of 562.66 g/mol, XLogP of 6.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 118037584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).