4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid

C23H25F3N4O6 — CID 118007968

IUPAC4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(O)C1C(=O)NCc1cc(-c2ccc(C(F)(F)F)nc2)ncc1C(=O)O
InChIInChI=1S/C23H25F3N4O6/c1-22(2,3)36-21(35)30-7-6-16(31)18(30)19(32)29-10-13-8-15(27-11-14(13)20(33)34)12-4-5-17(28-9-12)23(24,25)26/h4-5,8-9,11,16,18,31H,6-7,10H2,1-3H3,(H,29,32)(H,33,34)
InChIKeyKNTWNIOHHMVIGS-UHFFFAOYSA-N
MW510.47 g/mol
LogP2.85
Rot. Bonds5

About 4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid

4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid (PubChem CID 118007968) has the molecular formula C23H25F3N4O6 and a molecular weight of 510.47 g/mol. Its IUPAC name is 4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid
PubChem CID118007968
Molecular FormulaC23H25F3N4O6
Molecular Weight510.47 g/mol
Exact Mass510.17
IUPAC Name4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(O)C1C(=O)NCc1cc(-c2ccc(C(F)(F)F)nc2)ncc1C(=O)O
InChIInChI=1S/C23H25F3N4O6/c1-22(2,3)36-21(35)30-7-6-16(31)18(30)19(32)29-10-13-8-15(27-11-14(13)20(33)34)12-4-5-17(28-9-12)23(24,25)26/h4-5,8-9,11,16,18,31H,6-7,10H2,1-3H3,(H,29,32)(H,33,34)
InChIKeyKNTWNIOHHMVIGS-UHFFFAOYSA-N
XLogP2.85
TPSA141.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.47
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid 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 4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid (CID 118007968) is 4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(O)C1C(=O)NCc1cc(-c2ccc(C(F)(F)F)nc2)ncc1C(=O)O.
What is the InChIKey of 4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid?
The InChIKey is KNTWNIOHHMVIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O6/c1-22(2,3)36-21(35)30-7-6-16(31)18(30)19(32)29-10-13-8-15(27-11-14(13)20(33)34)12-4-5-17(28-9-12)23(24,25)26/h4-5,8-9,11,16,18,31H,6-7,10H2,1-3H3,(H,29,32)(H,33,34).
What are the key properties of 4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid?
4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid has a molecular weight of 510.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 118007968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).