1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C24H26N4O — CID 134135696

IUPAC1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(-c4ccccc4)c3)nn2CC2CC2)C1
InChIInChI=1S/C24H26N4O/c1-17(29)27-13-12-23-22(16-27)24(26-28(23)15-18-10-11-18)25-21-9-5-8-20(14-21)19-6-3-2-4-7-19/h2-9,14,18H,10-13,15-16H2,1H3,(H,25,26)
InChIKeyRYCIBPVLRWPLSI-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.61
Rot. Bonds5

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

1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 134135696) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID134135696
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(-c4ccccc4)c3)nn2CC2CC2)C1
InChIInChI=1S/C24H26N4O/c1-17(29)27-13-12-23-22(16-27)24(26-28(23)15-18-10-11-18)25-21-9-5-8-20(14-21)19-6-3-2-4-7-19/h2-9,14,18H,10-13,15-16H2,1H3,(H,25,26)
InChIKeyRYCIBPVLRWPLSI-UHFFFAOYSA-N
XLogP4.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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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
6-[2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226812
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275
5-Anilino-8,12,12-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.4.0.02,6]trideca-2,5,9-trien-7-one
CID 11988968
(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
CID 11988971
N-(3-tert-Butyl-1-methyl-5-pyrazolyl)-N'-(4-(4-acetaminophenyl)methylphenyl)urea
CID 44286313
5-Anilino-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
CID 70319863
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 134135696) is 1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(-c4ccccc4)c3)nn2CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is RYCIBPVLRWPLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17(29)27-13-12-23-22(16-27)24(26-28(23)15-18-10-11-18)25-21-9-5-8-20(14-21)19-6-3-2-4-7-19/h2-9,14,18H,10-13,15-16H2,1H3,(H,25,26).
What are the key properties of 1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 386.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 134135696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).