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

C18H23N5O2 — CID 121372886

IUPAC2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C18H23N5O2/c1-12-5-4-6-14(9-12)20-18-15-10-22(13(2)24)8-7-16(15)23(21-18)11-17(25)19-3/h4-6,9H,7-8,10-11H2,1-3H3,(H,19,25)(H,20,21)
InChIKeyAFPAMHAPNIQEJQ-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.59
Rot. Bonds4

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

2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylacetamide (PubChem CID 121372886) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylacetamide
PubChem CID121372886
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C18H23N5O2/c1-12-5-4-6-14(9-12)20-18-15-10-22(13(2)24)8-7-16(15)23(21-18)11-17(25)19-3/h4-6,9H,7-8,10-11H2,1-3H3,(H,19,25)(H,20,21)
InChIKeyAFPAMHAPNIQEJQ-UHFFFAOYSA-N
XLogP1.59
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.59
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-methylacetamide?
The IUPAC name of 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylacetamide (CID 121372886) is 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylacetamide is CNC(=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-methylacetamide?
The InChIKey is AFPAMHAPNIQEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-5-4-6-14(9-12)20-18-15-10-22(13(2)24)8-7-16(15)23(21-18)11-17(25)19-3/h4-6,9H,7-8,10-11H2,1-3H3,(H,19,25)(H,20,21).
What are the key properties of 2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylacetamide?
2-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylacetamide has a molecular weight of 341.42 g/mol, XLogP of 1.59, 4 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-methylacetamide is sourced from PubChem (CID 121372886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).