2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one

C20H18ClF4N5O2 — CID 73335916

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(CO)C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H18ClF4N5O2/c1-11-17(21)18(20(23,24)25)27-29(11)16(10-31)19(32)28-8-2-3-14-15(28)9-26-30(14)13-6-4-12(22)5-7-13/h4-7,9,16,31H,2-3,8,10H2,1H3
InChIKeyXXUBUWDZWXTQGV-UHFFFAOYSA-N
MW471.84 g/mol
LogP3.70
Rot. Bonds4

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one (PubChem CID 73335916) has the molecular formula C20H18ClF4N5O2 and a molecular weight of 471.84 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one
PubChem CID73335916
Molecular FormulaC20H18ClF4N5O2
Molecular Weight471.84 g/mol
Exact Mass471.11
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(CO)C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H18ClF4N5O2/c1-11-17(21)18(20(23,24)25)27-29(11)16(10-31)19(32)28-8-2-3-14-15(28)9-26-30(14)13-6-4-12(22)5-7-13/h4-7,9,16,31H,2-3,8,10H2,1H3
InChIKeyXXUBUWDZWXTQGV-UHFFFAOYSA-N
XLogP3.70
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one 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 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one (CID 73335916) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one is Cc1c(Cl)c(C(F)(F)F)nn1C(CO)C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one?
The InChIKey is XXUBUWDZWXTQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF4N5O2/c1-11-17(21)18(20(23,24)25)27-29(11)16(10-31)19(32)28-8-2-3-14-15(28)9-26-30(14)13-6-4-12(22)5-7-13/h4-7,9,16,31H,2-3,8,10H2,1H3.
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one has a molecular weight of 471.84 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 73335916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).