7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one

C31H28F3N7O2 — CID 119098972

IUPAC7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4cccc5c4NC(=O)C5)CC3)nc2)c1
InChIInChI=1S/C31H28F3N7O2/c1-18-13-24(38-27(14-18)39-26-16-21(7-10-35-26)31(32,33)34)20-5-6-25(36-17-20)37-22-8-11-41(12-9-22)30(43)23-4-2-3-19-15-28(42)40-29(19)23/h2-7,10,13-14,16-17,22H,8-9,11-12,15H2,1H3,(H,36,37)(H,40,42)(H,35,38,39)
InChIKeyYMFBJXFPQZMTGR-UHFFFAOYSA-N
MW587.61 g/mol
LogP5.82
Rot. Bonds6

About 7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one

7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one (PubChem CID 119098972) has the molecular formula C31H28F3N7O2 and a molecular weight of 587.61 g/mol. Its IUPAC name is 7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one
PubChem CID119098972
Molecular FormulaC31H28F3N7O2
Molecular Weight587.61 g/mol
Exact Mass587.23
IUPAC Name7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4cccc5c4NC(=O)C5)CC3)nc2)c1
InChIInChI=1S/C31H28F3N7O2/c1-18-13-24(38-27(14-18)39-26-16-21(7-10-35-26)31(32,33)34)20-5-6-25(36-17-20)37-22-8-11-41(12-9-22)30(43)23-4-2-3-19-15-28(42)40-29(19)23/h2-7,10,13-14,16-17,22H,8-9,11-12,15H2,1H3,(H,36,37)(H,40,42)(H,35,38,39)
InChIKeyYMFBJXFPQZMTGR-UHFFFAOYSA-N
XLogP5.82
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.61
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one (CID 119098972) is 7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4cccc5c4NC(=O)C5)CC3)nc2)c1.
What is the InChIKey of 7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
The InChIKey is YMFBJXFPQZMTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3N7O2/c1-18-13-24(38-27(14-18)39-26-16-21(7-10-35-26)31(32,33)34)20-5-6-25(36-17-20)37-22-8-11-41(12-9-22)30(43)23-4-2-3-19-15-28(42)40-29(19)23/h2-7,10,13-14,16-17,22H,8-9,11-12,15H2,1H3,(H,36,37)(H,40,42)(H,35,38,39).
What are the key properties of 7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one has a molecular weight of 587.61 g/mol, XLogP of 5.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 119098972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).