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

C32H33F3N8O — CID 119098935

IUPAC[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)C4CC(c5ccccc5)NN4)CC3)nc2)c1
InChIInChI=1S/C32H33F3N8O/c1-20-15-25(39-30(16-20)40-29-17-23(9-12-36-29)32(33,34)35)22-7-8-28(37-19-22)38-24-10-13-43(14-11-24)31(44)27-18-26(41-42-27)21-5-3-2-4-6-21/h2-9,12,15-17,19,24,26-27,41-42H,10-11,13-14,18H2,1H3,(H,37,38)(H,36,39,40)
InChIKeyFLXZTCFLAIVZAM-UHFFFAOYSA-N
MW602.67 g/mol
LogP5.62
Rot. Bonds7

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

[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone (PubChem CID 119098935) 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]-(5-phenylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
PubChem CID119098935
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]-(5-phenylpyrazolidin-3-yl)methanone
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)C4CC(c5ccccc5)NN4)CC3)nc2)c1
InChIInChI=1S/C32H33F3N8O/c1-20-15-25(39-30(16-20)40-29-17-23(9-12-36-29)32(33,34)35)22-7-8-28(37-19-22)38-24-10-13-43(14-11-24)31(44)27-18-26(41-42-27)21-5-3-2-4-6-21/h2-9,12,15-17,19,24,26-27,41-42H,10-11,13-14,18H2,1H3,(H,37,38)(H,36,39,40)
InChIKeyFLXZTCFLAIVZAM-UHFFFAOYSA-N
XLogP5.62
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 ≤ 55.62
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]-(5-phenylpyrazolidin-3-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]-(5-phenylpyrazolidin-3-yl)methanone?
The IUPAC name of [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone (CID 119098935) is [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(5-phenylpyrazolidin-3-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]-(5-phenylpyrazolidin-3-yl)methanone?
The canonical SMILES for [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)C4CC(c5ccccc5)NN4)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]-(5-phenylpyrazolidin-3-yl)methanone?
The InChIKey is FLXZTCFLAIVZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N8O/c1-20-15-25(39-30(16-20)40-29-17-23(9-12-36-29)32(33,34)35)22-7-8-28(37-19-22)38-24-10-13-43(14-11-24)31(44)27-18-26(41-42-27)21-5-3-2-4-6-21/h2-9,12,15-17,19,24,26-27,41-42H,10-11,13-14,18H2,1H3,(H,37,38)(H,36,39,40).
What are the key properties of [4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone?
[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone has a molecular weight of 602.67 g/mol, XLogP of 5.62, 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]-(5-phenylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 119098935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).