[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone

C32H33F3N8O — CID 119098953

IUPAC[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)C4CNNC4c4ccccc4)CC3)nc2)c1
InChIInChI=1S/C32H33F3N8O/c1-20-15-26(40-29(16-20)41-28-17-23(9-12-36-28)32(33,34)35)22-7-8-27(37-18-22)39-24-10-13-43(14-11-24)31(44)25-19-38-42-30(25)21-5-3-2-4-6-21/h2-9,12,15-18,24-25,30,38,42H,10-11,13-14,19H2,1H3,(H,37,39)(H,36,40,41)
InChIKeyJBIWJMCDPIZYKU-UHFFFAOYSA-N
MW602.67 g/mol
LogP5.48
Rot. Bonds7

About [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone

[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone (PubChem CID 119098953) has the molecular formula C32H33F3N8O and a molecular weight of 602.67 g/mol. Its IUPAC name is [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone
PubChem CID119098953
Molecular FormulaC32H33F3N8O
Molecular Weight602.67 g/mol
Exact Mass602.27
IUPAC Name[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)C4CNNC4c4ccccc4)CC3)nc2)c1
InChIInChI=1S/C32H33F3N8O/c1-20-15-26(40-29(16-20)41-28-17-23(9-12-36-28)32(33,34)35)22-7-8-27(37-18-22)39-24-10-13-43(14-11-24)31(44)25-19-38-42-30(25)21-5-3-2-4-6-21/h2-9,12,15-18,24-25,30,38,42H,10-11,13-14,19H2,1H3,(H,37,39)(H,36,40,41)
InChIKeyJBIWJMCDPIZYKU-UHFFFAOYSA-N
XLogP5.48
TPSA107.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.67
LogP ≤ 55.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-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 [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone?
The IUPAC name of [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone (CID 119098953) is [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone.
What is the SMILES notation for [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone?
The canonical SMILES for [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)C4CNNC4c4ccccc4)CC3)nc2)c1.
What is the InChIKey of [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone?
The InChIKey is JBIWJMCDPIZYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N8O/c1-20-15-26(40-29(16-20)41-28-17-23(9-12-36-28)32(33,34)35)22-7-8-27(37-18-22)39-24-10-13-43(14-11-24)31(44)25-19-38-42-30(25)21-5-3-2-4-6-21/h2-9,12,15-18,24-25,30,38,42H,10-11,13-14,19H2,1H3,(H,37,39)(H,36,40,41).
What are the key properties of [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone?
[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone has a molecular weight of 602.67 g/mol, XLogP of 5.48, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone is sourced from PubChem (CID 119098953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).