[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone

C18H15ClN4O — CID 108749983

IUPAC[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1
InChIInChI=1S/C18H15ClN4O/c19-14-5-1-3-12(9-14)17-15-11-23(8-6-16(15)21-22-17)18(24)13-4-2-7-20-10-13/h1-5,7,9-10H,6,8,11H2,(H,21,22)
InChIKeyWYGDWGUQKYBNBJ-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.32
Rot. Bonds2

About [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone

[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone (PubChem CID 108749983) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone
PubChem CID108749983
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1
InChIInChI=1S/C18H15ClN4O/c19-14-5-1-3-12(9-14)17-15-11-23(8-6-16(15)21-22-17)18(24)13-4-2-7-20-10-13/h1-5,7,9-10H,6,8,11H2,(H,21,22)
InChIKeyWYGDWGUQKYBNBJ-UHFFFAOYSA-N
XLogP3.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone (CID 108749983) is [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1.
What is the InChIKey of [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The InChIKey is WYGDWGUQKYBNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-14-5-1-3-12(9-14)17-15-11-23(8-6-16(15)21-22-17)18(24)13-4-2-7-20-10-13/h1-5,7,9-10H,6,8,11H2,(H,21,22).
What are the key properties of [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone?
[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone has a molecular weight of 338.80 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 108749983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).