(2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone

C20H16Cl2FN3O — CID 90409734

IUPAC(2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)c2c1CN(C(=O)c1cccc(Cl)c1Cl)CC2
InChIInChI=1S/C20H16Cl2FN3O/c1-25-17-11-26(20(27)15-3-2-4-16(21)18(15)22)10-9-14(17)19(24-25)12-5-7-13(23)8-6-12/h2-8H,9-11H2,1H3
InChIKeyFHXPHBCPZVSYFD-UHFFFAOYSA-N
MW404.27 g/mol
LogP4.73
Rot. Bonds2

About (2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone

(2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 90409734) has the molecular formula C20H16Cl2FN3O and a molecular weight of 404.27 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
PubChem CID90409734
Molecular FormulaC20H16Cl2FN3O
Molecular Weight404.27 g/mol
Exact Mass403.07
IUPAC Name(2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)c2c1CN(C(=O)c1cccc(Cl)c1Cl)CC2
InChIInChI=1S/C20H16Cl2FN3O/c1-25-17-11-26(20(27)15-3-2-4-16(21)18(15)22)10-9-14(17)19(24-25)12-5-7-13(23)8-6-12/h2-8H,9-11H2,1H3
InChIKeyFHXPHBCPZVSYFD-UHFFFAOYSA-N
XLogP4.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone (CID 90409734) is (2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone is Cn1nc(-c2ccc(F)cc2)c2c1CN(C(=O)c1cccc(Cl)c1Cl)CC2.
What is the InChIKey of (2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The InChIKey is FHXPHBCPZVSYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN3O/c1-25-17-11-26(20(27)15-3-2-4-16(21)18(15)22)10-9-14(17)19(24-25)12-5-7-13(23)8-6-12/h2-8H,9-11H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
(2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone has a molecular weight of 404.27 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 90409734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).