[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol

C29H37F5N8O — CID 162615675

IUPAC[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol
SMILESCNC(O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C29H37F5N8O/c1-35-28(43)40-11-7-24-23(16-40)27(37-42(24)20-5-9-39(10-6-20)17-29(32,33)34)41-8-3-4-18-12-21(19-14-36-38(2)15-19)22(26(30)31)13-25(18)41/h12-15,20,26,28,35,43H,3-11,16-17H2,1-2H3
InChIKeyRARCEWGLULEKQT-UHFFFAOYSA-N
MW608.66 g/mol
LogP4.36
Rot. Bonds7

About [3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol

[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol (PubChem CID 162615675) has the molecular formula C29H37F5N8O and a molecular weight of 608.66 g/mol. Its IUPAC name is [3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol.

Molecular Properties

Compound Name[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol
PubChem CID162615675
Molecular FormulaC29H37F5N8O
Molecular Weight608.66 g/mol
Exact Mass608.30
IUPAC Name[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol
SMILESCNC(O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C29H37F5N8O/c1-35-28(43)40-11-7-24-23(16-40)27(37-42(24)20-5-9-39(10-6-20)17-29(32,33)34)41-8-3-4-18-12-21(19-14-36-38(2)15-19)22(26(30)31)13-25(18)41/h12-15,20,26,28,35,43H,3-11,16-17H2,1-2H3
InChIKeyRARCEWGLULEKQT-UHFFFAOYSA-N
XLogP4.36
TPSA77.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.66
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol 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 [3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol?
The IUPAC name of [3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol (CID 162615675) is [3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol.
What is the SMILES notation for [3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol?
The canonical SMILES for [3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol is CNC(O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of [3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol?
The InChIKey is RARCEWGLULEKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37F5N8O/c1-35-28(43)40-11-7-24-23(16-40)27(37-42(24)20-5-9-39(10-6-20)17-29(32,33)34)41-8-3-4-18-12-21(19-14-36-38(2)15-19)22(26(30)31)13-25(18)41/h12-15,20,26,28,35,43H,3-11,16-17H2,1-2H3.
What are the key properties of [3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol?
[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol has a molecular weight of 608.66 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(methylamino)methanol is sourced from PubChem (CID 162615675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).