2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C19H17Cl2N3O — CID 53373507

IUPAC2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=C1C2CCN(Cc3cccc(Cl)c3)CC2=NN1c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2N3O/c20-14-4-6-16(7-5-14)24-19(25)17-8-9-23(12-18(17)22-24)11-13-2-1-3-15(21)10-13/h1-7,10,17H,8-9,11-12H2
InChIKeyDLVFRMOBIQDMHJ-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.22
Rot. Bonds3

About 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 53373507) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID53373507
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=C1C2CCN(Cc3cccc(Cl)c3)CC2=NN1c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2N3O/c20-14-4-6-16(7-5-14)24-19(25)17-8-9-23(12-18(17)22-24)11-13-2-1-3-15(21)10-13/h1-7,10,17H,8-9,11-12H2
InChIKeyDLVFRMOBIQDMHJ-UHFFFAOYSA-N
XLogP4.22
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 53371917
N-[3-[6-[(3-cyanophenyl)methyl]-3-oxo-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide
CID 53371920
1-benzyl-4-(3-chlorophenyl)piperidin-3-one
CID 141447100
N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide
CID 53372450
3-[(2-benzyl-3-oxo-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)methyl]benzonitrile
CID 53373509
6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 53372177
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67371266
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
3-[[2-(2-morpholin-4-ylethyl)-3-oxo-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]methyl]benzonitrile
CID 53372050
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 53373507) is 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is O=C1C2CCN(Cc3cccc(Cl)c3)CC2=NN1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is DLVFRMOBIQDMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c20-14-4-6-16(7-5-14)24-19(25)17-8-9-23(12-18(17)22-24)11-13-2-1-3-15(21)10-13/h1-7,10,17H,8-9,11-12H2.
What are the key properties of 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 374.27 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 53373507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).