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

C22H25N5O — CID 121372885

IUPAC1-[3-(3-methylanilino)-1-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCc2ccccn2)C1
InChIInChI=1S/C22H25N5O/c1-16-6-5-8-19(14-16)24-22-20-15-26(17(2)28)12-10-21(20)27(25-22)13-9-18-7-3-4-11-23-18/h3-8,11,14H,9-10,12-13,15H2,1-2H3,(H,24,25)
InChIKeyUVWARBMYXFJDQY-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.48
Rot. Bonds5

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

1-[3-(3-methylanilino)-1-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121372885) 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-2-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methylanilino)-1-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121372885
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-[3-(3-methylanilino)-1-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCc2ccccn2)C1
InChIInChI=1S/C22H25N5O/c1-16-6-5-8-19(14-16)24-22-20-15-26(17(2)28)12-10-21(20)27(25-22)13-9-18-7-3-4-11-23-18/h3-8,11,14H,9-10,12-13,15H2,1-2H3,(H,24,25)
InChIKeyUVWARBMYXFJDQY-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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Related Compounds

1-[1-(2-hydroxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372880
1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 159840830
1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121365372
3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid
CID 82588897
1-[1-ethyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121383107
4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 162008850
1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 159049703
1-(cyclopropylmethyl)-5-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 139399019
1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373231
1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373008
1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373011
1-[3-[4-(3-hydroxyphenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 145091066

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylanilino)-1-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(3-methylanilino)-1-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121372885) is 1-[3-(3-methylanilino)-1-(2-pyridin-2-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-2-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(3-methylanilino)-1-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCc2ccccn2)C1.
What is the InChIKey of 1-[3-(3-methylanilino)-1-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is UVWARBMYXFJDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-6-5-8-19(14-16)24-22-20-15-26(17(2)28)12-10-21(20)27(25-22)13-9-18-7-3-4-11-23-18/h3-8,11,14H,9-10,12-13,15H2,1-2H3,(H,24,25).
What are the key properties of 1-[3-(3-methylanilino)-1-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(3-methylanilino)-1-(2-pyridin-2-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-2-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121372885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).