5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

C45H38F8N4O — CID 160576371

IUPAC5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
SMILESCc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)C(F)(F)CCO2.Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)CC(F)(F)CC2
InChIInChI=1S/C23H20F4N2.C22H18F4N2O/c1-14-9-15-7-8-23(26,27)11-17(15)10-18(14)16-5-6-22(28-12-16)29-13-19-20(24)3-2-4-21(19)25;1-13-9-20-17(22(25,26)7-8-29-20)10-15(13)14-5-6-21(27-11-14)28-12-16-18(23)3-2-4-19(16)24/h2-6,9-10,12H,7-8,11,13H2,1H3,(H,28,29);2-6,9-11H,7-8,12H2,1H3,(H,27,28)
InChIKeyRBEXYCXAEYEHKX-UHFFFAOYSA-N
MW802.81 g/mol
LogP11.89
Rot. Bonds8

About 5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 160576371) has the molecular formula C45H38F8N4O and a molecular weight of 802.81 g/mol. Its IUPAC name is 5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
PubChem CID160576371
Molecular FormulaC45H38F8N4O
Molecular Weight802.81 g/mol
Exact Mass802.29
IUPAC Name5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
SMILESCc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)C(F)(F)CCO2.Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)CC(F)(F)CC2
InChIInChI=1S/C23H20F4N2.C22H18F4N2O/c1-14-9-15-7-8-23(26,27)11-17(15)10-18(14)16-5-6-22(28-12-16)29-13-19-20(24)3-2-4-21(19)25;1-13-9-20-17(22(25,26)7-8-29-20)10-15(13)14-5-6-21(27-11-14)28-12-16-18(23)3-2-4-19(16)24/h2-6,9-10,12H,7-8,11,13H2,1H3,(H,28,29);2-6,9-11H,7-8,12H2,1H3,(H,27,28)
InChIKeyRBEXYCXAEYEHKX-UHFFFAOYSA-N
XLogP11.89
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.81
LogP ≤ 511.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-methyl-N-(naphthalen-2-ylmethyl)pyridin-2-amine
CID 44377295
6-[[(3-Phenoxyphenyl)methylamino]methyl]isoquinolin-1-amine
CID 53321582
N-methyl-7-[3-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenoxy]prop-1-ynyl]isoquinolin-3-amine
CID 74538658
N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 71086580
2-(Oxan-4-yloxy)-5-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]benzonitrile
CID 71295155
N-[3-[3-[3-fluoro-5-methoxy-4-[(oxan-4-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]pyrido[3,4-b]pyrazin-5-amine
CID 155288412
US11845730, Example 14
CID 165144062
US11845730, Example 13
CID 165144106
1-[4-[2,6-Dimethyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-2-pyridinyl]piperazine
CID 137655031
1-Pyridin-2-yl-4-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)phenyl]ethyl]piperazine;trihydrochloride
CID 145970382
US11845730, Example 109
CID 165144078
US9872852, Example 166
CID 117941695

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (CID 160576371) is 5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)C(F)(F)CCO2.Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)CC(F)(F)CC2.
What is the InChIKey of 5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The InChIKey is RBEXYCXAEYEHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N2.C22H18F4N2O/c1-14-9-15-7-8-23(26,27)11-17(15)10-18(14)16-5-6-22(28-12-16)29-13-19-20(24)3-2-4-21(19)25;1-13-9-20-17(22(25,26)7-8-29-20)10-15(13)14-5-6-21(27-11-14)28-12-16-18(23)3-2-4-19(16)24/h2-6,9-10,12H,7-8,11,13H2,1H3,(H,28,29);2-6,9-11H,7-8,12H2,1H3,(H,27,28).
What are the key properties of 5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine has a molecular weight of 802.81 g/mol, XLogP of 11.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoro-7-methyl-2,3-dihydrochromen-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 160576371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).