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

C19H25N5O2 — CID 121372895

IUPAC2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C19H25N5O2/c1-4-20-18(26)12-24-17-8-9-23(14(3)25)11-16(17)19(22-24)21-15-7-5-6-13(2)10-15/h5-7,10H,4,8-9,11-12H2,1-3H3,(H,20,26)(H,21,22)
InChIKeyJJOSDLXMCZVXLH-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.98
Rot. Bonds5

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

2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide (PubChem CID 121372895) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide
PubChem CID121372895
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C19H25N5O2/c1-4-20-18(26)12-24-17-8-9-23(14(3)25)11-16(17)19(22-24)21-15-7-5-6-13(2)10-15/h5-7,10H,4,8-9,11-12H2,1-3H3,(H,20,26)(H,21,22)
InChIKeyJJOSDLXMCZVXLH-UHFFFAOYSA-N
XLogP1.98
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Phenylazanyl-1,4,6,7-Tetrahydropyrazolo[4,3-C]pyridin-5-Yl)ethanone
CID 95828281
3-[[1-(Cyclopropylmethyl)-5-Ethanoyl-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-3-Yl]amino]-~{n}-Propan-2-Yl-Benzamide
CID 121365488
Difenamizole
CID 65695
2-amino-N-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzyl)acetamide
CID 49862286
1-(3-(m-tolylamino)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 121365342
US9763922, Example 44
CID 121372691
1-[3-(3-methylanilino)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372875
1-[3-(3-methylanilino)-1-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372877
1-[1-(cyclopropylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372879
1-[1-(2-hydroxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372880
1-[3-(3-methylanilino)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372884
1-[1-methyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372897

Frequently Asked Questions

What is the IUPAC name of 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide (CID 121372895) is 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide is CCNC(=O)Cn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2.
What is the InChIKey of 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide?
The InChIKey is JJOSDLXMCZVXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-20-18(26)12-24-17-8-9-23(14(3)25)11-16(17)19(22-24)21-15-7-5-6-13(2)10-15/h5-7,10H,4,8-9,11-12H2,1-3H3,(H,20,26)(H,21,22).
What are the key properties of 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide?
2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide has a molecular weight of 355.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 121372895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).