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

C34H31F3N6O2 — CID 119098989

IUPAC(1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCOc1c(C(=O)N2CCC(Nc3ccc(-c4cc(C)cc(Nc5cc(C(F)(F)F)ccn5)n4)cn3)CC2)ccc2ccccc12
InChIInChI=1S/C34H31F3N6O2/c1-21-17-28(41-31(18-21)42-30-19-24(11-14-38-30)34(35,36)37)23-8-10-29(39-20-23)40-25-12-15-43(16-13-25)33(44)27-9-7-22-5-3-4-6-26(22)32(27)45-2/h3-11,14,17-20,25H,12-13,15-16H2,1-2H3,(H,39,40)(H,38,41,42)
InChIKeyVMEBJSGBULDFMM-UHFFFAOYSA-N
MW612.66 g/mol
LogP7.49
Rot. Bonds7

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

(1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone (PubChem CID 119098989) has the molecular formula C34H31F3N6O2 and a molecular weight of 612.66 g/mol. Its IUPAC name is (1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
PubChem CID119098989
Molecular FormulaC34H31F3N6O2
Molecular Weight612.66 g/mol
Exact Mass612.25
IUPAC Name(1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCOc1c(C(=O)N2CCC(Nc3ccc(-c4cc(C)cc(Nc5cc(C(F)(F)F)ccn5)n4)cn3)CC2)ccc2ccccc12
InChIInChI=1S/C34H31F3N6O2/c1-21-17-28(41-31(18-21)42-30-19-24(11-14-38-30)34(35,36)37)23-8-10-29(39-20-23)40-25-12-15-43(16-13-25)33(44)27-9-7-22-5-3-4-6-26(22)32(27)45-2/h3-11,14,17-20,25H,12-13,15-16H2,1-2H3,(H,39,40)(H,38,41,42)
InChIKeyVMEBJSGBULDFMM-UHFFFAOYSA-N
XLogP7.49
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.66
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone (CID 119098989) is (1-methoxynaphthalen-2-yl)-[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 (1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone is COc1c(C(=O)N2CCC(Nc3ccc(-c4cc(C)cc(Nc5cc(C(F)(F)F)ccn5)n4)cn3)CC2)ccc2ccccc12.
What is the InChIKey of (1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
The InChIKey is VMEBJSGBULDFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F3N6O2/c1-21-17-28(41-31(18-21)42-30-19-24(11-14-38-30)34(35,36)37)23-8-10-29(39-20-23)40-25-12-15-43(16-13-25)33(44)27-9-7-22-5-3-4-6-26(22)32(27)45-2/h3-11,14,17-20,25H,12-13,15-16H2,1-2H3,(H,39,40)(H,38,41,42).
What are the key properties of (1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
(1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone has a molecular weight of 612.66 g/mol, XLogP of 7.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 119098989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).