3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C26H32N6O3 — CID 67997008

IUPAC3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCc1ccc(N2CCN(CCC(=O)n3nc(N)c4c3C(=O)N(Cc3ccco3)CC4)CC2)c(C)c1
InChIInChI=1S/C26H32N6O3/c1-18-5-6-22(19(2)16-18)30-13-11-29(12-14-30)9-8-23(33)32-24-21(25(27)28-32)7-10-31(26(24)34)17-20-4-3-15-35-20/h3-6,15-16H,7-14,17H2,1-2H3,(H2,27,28)
InChIKeyBQYZYNVFFOFGDW-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.73
Rot. Bonds6

About 3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 67997008) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID67997008
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCc1ccc(N2CCN(CCC(=O)n3nc(N)c4c3C(=O)N(Cc3ccco3)CC4)CC2)c(C)c1
InChIInChI=1S/C26H32N6O3/c1-18-5-6-22(19(2)16-18)30-13-11-29(12-14-30)9-8-23(33)32-24-21(25(27)28-32)7-10-31(26(24)34)17-20-4-3-15-35-20/h3-6,15-16H,7-14,17H2,1-2H3,(H2,27,28)
InChIKeyBQYZYNVFFOFGDW-UHFFFAOYSA-N
XLogP2.73
TPSA100.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one with MolForge

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Related Compounds

1-(2-chloroethyl)-4-(2,4-dimethylphenyl)piperazine
CID 4741820
2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
CID 4741095
2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline
CID 19626878
3-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 52897905
2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl 4-(2,4-dimethylphenyl)piperazine-1-carboxylate
CID 6736704
5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
CID 3839367
[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1053794
1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride
CID 71557085
1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1-phenylpyrazol-3-yl]methylamino]ethanone
CID 45279622
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione
CID 27259303
3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572131
2-(3-amino-1,2,4-triazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 61113519

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 67997008) is 3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is Cc1ccc(N2CCN(CCC(=O)n3nc(N)c4c3C(=O)N(Cc3ccco3)CC4)CC2)c(C)c1.
What is the InChIKey of 3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is BQYZYNVFFOFGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-18-5-6-22(19(2)16-18)30-13-11-29(12-14-30)9-8-23(33)32-24-21(25(27)28-32)7-10-31(26(24)34)17-20-4-3-15-35-20/h3-6,15-16H,7-14,17H2,1-2H3,(H2,27,28).
What are the key properties of 3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 476.58 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 67997008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).