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

C18H23N5O2 — CID 121373190

IUPAC3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCC(N)=O)C1
InChIInChI=1S/C18H23N5O2/c1-12-4-3-5-14(10-12)20-18-15-11-22(13(2)24)8-6-16(15)23(21-18)9-7-17(19)25/h3-5,10H,6-9,11H2,1-2H3,(H2,19,25)(H,20,21)
InChIKeyGNSSLRMFFNVEAX-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.72
Rot. Bonds5

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

3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide (PubChem CID 121373190) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide.

Molecular Properties

Compound Name3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide
PubChem CID121373190
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCC(N)=O)C1
InChIInChI=1S/C18H23N5O2/c1-12-4-3-5-14(10-12)20-18-15-11-22(13(2)24)8-6-16(15)23(21-18)9-7-17(19)25/h3-5,10H,6-9,11H2,1-2H3,(H2,19,25)(H,20,21)
InChIKeyGNSSLRMFFNVEAX-UHFFFAOYSA-N
XLogP1.72
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.72
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
N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422380
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

Frequently Asked Questions

What is the IUPAC name of 3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide?
The IUPAC name of 3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide (CID 121373190) is 3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide.
What is the SMILES notation for 3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide?
The canonical SMILES for 3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide is CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCC(N)=O)C1.
What is the InChIKey of 3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide?
The InChIKey is GNSSLRMFFNVEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-4-3-5-14(10-12)20-18-15-11-22(13(2)24)8-6-16(15)23(21-18)9-7-17(19)25/h3-5,10H,6-9,11H2,1-2H3,(H2,19,25)(H,20,21).
What are the key properties of 3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide?
3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide has a molecular weight of 341.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide is sourced from PubChem (CID 121373190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).