1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea

C24H30F3N5O3 — CID 71238728

IUPAC1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(C3COC(C)(C)O3)nc2)CC1
InChIInChI=1S/C24H30F3N5O3/c1-15-8-10-32(11-9-15)21-16(4-7-20(31-21)24(25,26)27)12-29-22(33)30-17-5-6-18(28-13-17)19-14-34-23(2,3)35-19/h4-7,13,15,19H,8-12,14H2,1-3H3,(H2,29,30,33)
InChIKeyRLHGSPGQVZORQC-UHFFFAOYSA-N
MW493.53 g/mol
LogP4.88
Rot. Bonds5

About 1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea

1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea (PubChem CID 71238728) has the molecular formula C24H30F3N5O3 and a molecular weight of 493.53 g/mol. Its IUPAC name is 1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
PubChem CID71238728
Molecular FormulaC24H30F3N5O3
Molecular Weight493.53 g/mol
Exact Mass493.23
IUPAC Name1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(C3COC(C)(C)O3)nc2)CC1
InChIInChI=1S/C24H30F3N5O3/c1-15-8-10-32(11-9-15)21-16(4-7-20(31-21)24(25,26)27)12-29-22(33)30-17-5-6-18(28-13-17)19-14-34-23(2,3)35-19/h4-7,13,15,19H,8-12,14H2,1-3H3,(H2,29,30,33)
InChIKeyRLHGSPGQVZORQC-UHFFFAOYSA-N
XLogP4.88
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea 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 1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea (CID 71238728) is 1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(C3COC(C)(C)O3)nc2)CC1.
What is the InChIKey of 1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The InChIKey is RLHGSPGQVZORQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O3/c1-15-8-10-32(11-9-15)21-16(4-7-20(31-21)24(25,26)27)12-29-22(33)30-17-5-6-18(28-13-17)19-14-34-23(2,3)35-19/h4-7,13,15,19H,8-12,14H2,1-3H3,(H2,29,30,33).
What are the key properties of 1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea has a molecular weight of 493.53 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 71238728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).