(2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone

C30H29F3N6O2 — CID 119099012

IUPAC(2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(Nc2ccc(-c3cc(C)cc(Nc4cc(C(F)(F)F)ccn4)n3)cn2)CC1
InChIInChI=1S/C30H29F3N6O2/c1-19-15-24(37-28(16-19)38-27-17-21(9-12-34-27)30(31,32)33)20-7-8-26(35-18-20)36-22-10-13-39(14-11-22)29(40)23-5-3-4-6-25(23)41-2/h3-9,12,15-18,22H,10-11,13-14H2,1-2H3,(H,35,36)(H,34,37,38)
InChIKeyZYPCXZQWANWIBF-UHFFFAOYSA-N
MW562.60 g/mol
LogP6.33
Rot. Bonds7

About (2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone

(2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone (PubChem CID 119099012) has the molecular formula C30H29F3N6O2 and a molecular weight of 562.60 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
PubChem CID119099012
Molecular FormulaC30H29F3N6O2
Molecular Weight562.60 g/mol
Exact Mass562.23
IUPAC Name(2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(Nc2ccc(-c3cc(C)cc(Nc4cc(C(F)(F)F)ccn4)n3)cn2)CC1
InChIInChI=1S/C30H29F3N6O2/c1-19-15-24(37-28(16-19)38-27-17-21(9-12-34-27)30(31,32)33)20-7-8-26(35-18-20)36-22-10-13-39(14-11-22)29(40)23-5-3-4-6-25(23)41-2/h3-9,12,15-18,22H,10-11,13-14H2,1-2H3,(H,35,36)(H,34,37,38)
InChIKeyZYPCXZQWANWIBF-UHFFFAOYSA-N
XLogP6.33
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.60
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone 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 (2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone (CID 119099012) is (2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCC(Nc2ccc(-c3cc(C)cc(Nc4cc(C(F)(F)F)ccn4)n3)cn2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
The InChIKey is ZYPCXZQWANWIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N6O2/c1-19-15-24(37-28(16-19)38-27-17-21(9-12-34-27)30(31,32)33)20-7-8-26(35-18-20)36-22-10-13-39(14-11-22)29(40)23-5-3-4-6-25(23)41-2/h3-9,12,15-18,22H,10-11,13-14H2,1-2H3,(H,35,36)(H,34,37,38).
What are the key properties of (2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
(2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone has a molecular weight of 562.60 g/mol, XLogP of 6.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 119099012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).