5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

C36H35F2N5O2 — CID 123584578

IUPAC5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2cnc(C3=CC(CC(C)C)OCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)cn1
InChIInChI=1S/C36H35F2N5O2/c1-20(2)12-26-14-23(9-11-45-26)29-17-30(27(19-40-29)24-6-7-33(44-5)41-18-24)42-36-22(4)35(32-13-21(3)8-10-39-32)43-31-16-25(37)15-28(38)34(31)36/h6-8,10,13-20,26H,9,11-12H2,1-5H3,(H,40,42,43)
InChIKeyPGJVRKJKLCGTPY-UHFFFAOYSA-N
MW607.71 g/mol
LogP8.62
Rot. Bonds8

About 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (PubChem CID 123584578) has the molecular formula C36H35F2N5O2 and a molecular weight of 607.71 g/mol. Its IUPAC name is 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
PubChem CID123584578
Molecular FormulaC36H35F2N5O2
Molecular Weight607.71 g/mol
Exact Mass607.28
IUPAC Name5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2cnc(C3=CC(CC(C)C)OCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)cn1
InChIInChI=1S/C36H35F2N5O2/c1-20(2)12-26-14-23(9-11-45-26)29-17-30(27(19-40-29)24-6-7-33(44-5)41-18-24)42-36-22(4)35(32-13-21(3)8-10-39-32)43-31-16-25(37)15-28(38)34(31)36/h6-8,10,13-20,26H,9,11-12H2,1-5H3,(H,40,42,43)
InChIKeyPGJVRKJKLCGTPY-UHFFFAOYSA-N
XLogP8.62
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.71
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-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

US10155760, Example 204
CID 118429935
7-Fluoro-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
CID 71455625
7-Fluoro-5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
CID 72698087
7-Fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
CID 72698088
N-[2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethyl]-6-methoxyquinolin-4-amine
CID 44533339
5-Phenylpyridin-2-yl 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate
CID 53364507
4-(3-(5,7-Difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-ylamino)-5-morpholinopyridin-2-yl)phenol
CID 136027097
US10155760, Example 223
CID 118419831
US10155760, Example 131
CID 118419835
US10155760, Example 219
CID 118419919
US10155760, Example 226
CID 118419920
US10155760, Example 227
CID 118420148

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (CID 123584578) is 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is COc1ccc(-c2cnc(C3=CC(CC(C)C)OCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)cn1.
What is the InChIKey of 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The InChIKey is PGJVRKJKLCGTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35F2N5O2/c1-20(2)12-26-14-23(9-11-45-26)29-17-30(27(19-40-29)24-6-7-33(44-5)41-18-24)42-36-22(4)35(32-13-21(3)8-10-39-32)43-31-16-25(37)15-28(38)34(31)36/h6-8,10,13-20,26H,9,11-12H2,1-5H3,(H,40,42,43).
What are the key properties of 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine has a molecular weight of 607.71 g/mol, XLogP of 8.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-[6-(2-methylpropyl)-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 123584578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).