6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid

C26H36FN7O2 — CID 11526155

IUPAC6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N1CCN(c2cc(N3CCC(F)CC3)nc(N3CCCC3C)n2)C(C)C1
InChIInChI=1S/C26H36FN7O2/c1-17-13-20(25(35)36)15-28-24(17)32-11-12-33(19(3)16-32)23-14-22(31-9-6-21(27)7-10-31)29-26(30-23)34-8-4-5-18(34)2/h13-15,18-19,21H,4-12,16H2,1-3H3,(H,35,36)
InChIKeyCINGBLPALFRUEN-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.52
Rot. Bonds5

About 6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid

6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid (PubChem CID 11526155) has the molecular formula C26H36FN7O2 and a molecular weight of 497.62 g/mol. Its IUPAC name is 6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid
PubChem CID11526155
Molecular FormulaC26H36FN7O2
Molecular Weight497.62 g/mol
Exact Mass497.29
IUPAC Name6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N1CCN(c2cc(N3CCC(F)CC3)nc(N3CCCC3C)n2)C(C)C1
InChIInChI=1S/C26H36FN7O2/c1-17-13-20(25(35)36)15-28-24(17)32-11-12-33(19(3)16-32)23-14-22(31-9-6-21(27)7-10-31)29-26(30-23)34-8-4-5-18(34)2/h13-15,18-19,21H,4-12,16H2,1-3H3,(H,35,36)
InChIKeyCINGBLPALFRUEN-UHFFFAOYSA-N
XLogP3.52
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-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 6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid (CID 11526155) is 6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N1CCN(c2cc(N3CCC(F)CC3)nc(N3CCCC3C)n2)C(C)C1.
What is the InChIKey of 6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid?
The InChIKey is CINGBLPALFRUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN7O2/c1-17-13-20(25(35)36)15-28-24(17)32-11-12-33(19(3)16-32)23-14-22(31-9-6-21(27)7-10-31)29-26(30-23)34-8-4-5-18(34)2/h13-15,18-19,21H,4-12,16H2,1-3H3,(H,35,36).
What are the key properties of 6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid?
6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid has a molecular weight of 497.62 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-(4-fluoropiperidin-1-yl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 11526155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).