methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate

C23H32N6O3 — CID 170606274

IUPACmethyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(N2CCN(C(=O)n3cc4c(n3)C(C)(C)CNC4)C(C)(C)C2)nc1
InChIInChI=1S/C23H32N6O3/c1-22(2)14-24-12-17-13-29(26-20(17)22)21(31)28-9-8-27(15-23(28,3)4)18-7-6-16(11-25-18)10-19(30)32-5/h6-7,11,13,24H,8-10,12,14-15H2,1-5H3
InChIKeyILYHQIYLTGXMGV-UHFFFAOYSA-N
MW440.55 g/mol
LogP1.94
Rot. Bonds3

About methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate

methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate (PubChem CID 170606274) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate
PubChem CID170606274
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC Namemethyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(N2CCN(C(=O)n3cc4c(n3)C(C)(C)CNC4)C(C)(C)C2)nc1
InChIInChI=1S/C23H32N6O3/c1-22(2)14-24-12-17-13-29(26-20(17)22)21(31)28-9-8-27(15-23(28,3)4)18-7-6-16(11-25-18)10-19(30)32-5/h6-7,11,13,24H,8-10,12,14-15H2,1-5H3
InChIKeyILYHQIYLTGXMGV-UHFFFAOYSA-N
XLogP1.94
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate (CID 170606274) is methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate is COC(=O)Cc1ccc(N2CCN(C(=O)n3cc4c(n3)C(C)(C)CNC4)C(C)(C)C2)nc1.
What is the InChIKey of methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate?
The InChIKey is ILYHQIYLTGXMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-22(2)14-24-12-17-13-29(26-20(17)22)21(31)28-9-8-27(15-23(28,3)4)18-7-6-16(11-25-18)10-19(30)32-5/h6-7,11,13,24H,8-10,12,14-15H2,1-5H3.
What are the key properties of methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate?
methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate has a molecular weight of 440.55 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate is sourced from PubChem (CID 170606274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).