1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C22H25N5O — CID 121372881

IUPAC1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCc2ccncc2)C1
InChIInChI=1S/C22H25N5O/c1-16-4-3-5-19(14-16)24-22-20-15-26(17(2)28)12-9-21(20)27(25-22)13-8-18-6-10-23-11-7-18/h3-7,10-11,14H,8-9,12-13,15H2,1-2H3,(H,24,25)
InChIKeyDDOSUIFNXFKXCW-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.48
Rot. Bonds5

About 1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121372881) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121372881
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCc2ccncc2)C1
InChIInChI=1S/C22H25N5O/c1-16-4-3-5-19(14-16)24-22-20-15-26(17(2)28)12-9-21(20)27(25-22)13-8-18-6-10-23-11-7-18/h3-7,10-11,14H,8-9,12-13,15H2,1-2H3,(H,24,25)
InChIKeyDDOSUIFNXFKXCW-UHFFFAOYSA-N
XLogP3.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121372881) is 1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCc2ccncc2)C1.
What is the InChIKey of 1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is DDOSUIFNXFKXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-4-3-5-19(14-16)24-22-20-15-26(17(2)28)12-9-21(20)27(25-22)13-8-18-6-10-23-11-7-18/h3-7,10-11,14H,8-9,12-13,15H2,1-2H3,(H,24,25).
What are the key properties of 1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 375.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylanilino)-1-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121372881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).