1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one

C19H18ClF3N6O — CID 73336211

IUPAC1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one
SMILESCc1nc(C(F)(F)F)nn1C(C)C(=O)N1CCCc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClF3N6O/c1-11(28-12(2)25-18(26-28)19(21,22)23)17(30)27-9-3-4-15-16(27)10-24-29(15)14-7-5-13(20)6-8-14/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyBDNJSMLZPNGEAX-UHFFFAOYSA-N
MW438.84 g/mol
LogP3.98
Rot. Bonds3

About 1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one

1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one (PubChem CID 73336211) has the molecular formula C19H18ClF3N6O and a molecular weight of 438.84 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one
PubChem CID73336211
Molecular FormulaC19H18ClF3N6O
Molecular Weight438.84 g/mol
Exact Mass438.12
IUPAC Name1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one
SMILESCc1nc(C(F)(F)F)nn1C(C)C(=O)N1CCCc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClF3N6O/c1-11(28-12(2)25-18(26-28)19(21,22)23)17(30)27-9-3-4-15-16(27)10-24-29(15)14-7-5-13(20)6-8-14/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyBDNJSMLZPNGEAX-UHFFFAOYSA-N
XLogP3.98
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one?
The IUPAC name of 1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one (CID 73336211) is 1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one?
The canonical SMILES for 1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one is Cc1nc(C(F)(F)F)nn1C(C)C(=O)N1CCCc2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one?
The InChIKey is BDNJSMLZPNGEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N6O/c1-11(28-12(2)25-18(26-28)19(21,22)23)17(30)27-9-3-4-15-16(27)10-24-29(15)14-7-5-13(20)6-8-14/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one?
1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one has a molecular weight of 438.84 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propan-1-one is sourced from PubChem (CID 73336211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).