3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride

C25H31ClN6O4 — CID 165128359

IUPAC3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride
SMILESCOc1ccc(CN2C(=O)CCN(c3cnn4ccc(CN5CCNCC5)cc34)C2=O)c(OC)c1.Cl
InChIInChI=1S/C25H30N6O4.ClH/c1-34-20-4-3-19(23(14-20)35-2)17-30-24(32)6-9-29(25(30)33)22-15-27-31-10-5-18(13-21(22)31)16-28-11-7-26-8-12-28;/h3-5,10,13-15,26H,6-9,11-12,16-17H2,1-2H3;1H
InChIKeyKFFZWKYNENYWIC-UHFFFAOYSA-N
MW515.01 g/mol
LogP2.54
Rot. Bonds7

About 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride

3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride (PubChem CID 165128359) has the molecular formula C25H31ClN6O4 and a molecular weight of 515.01 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride
PubChem CID165128359
Molecular FormulaC25H31ClN6O4
Molecular Weight515.01 g/mol
Exact Mass514.21
IUPAC Name3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride
SMILESCOc1ccc(CN2C(=O)CCN(c3cnn4ccc(CN5CCNCC5)cc34)C2=O)c(OC)c1.Cl
InChIInChI=1S/C25H30N6O4.ClH/c1-34-20-4-3-19(23(14-20)35-2)17-30-24(32)6-9-29(25(30)33)22-15-27-31-10-5-18(13-21(22)31)16-28-11-7-26-8-12-28;/h3-5,10,13-15,26H,6-9,11-12,16-17H2,1-2H3;1H
InChIKeyKFFZWKYNENYWIC-UHFFFAOYSA-N
XLogP2.54
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.01
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride 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 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride (CID 165128359) is 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride is COc1ccc(CN2C(=O)CCN(c3cnn4ccc(CN5CCNCC5)cc34)C2=O)c(OC)c1.Cl.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride?
The InChIKey is KFFZWKYNENYWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4.ClH/c1-34-20-4-3-19(23(14-20)35-2)17-30-24(32)6-9-29(25(30)33)22-15-27-31-10-5-18(13-21(22)31)16-28-11-7-26-8-12-28;/h3-5,10,13-15,26H,6-9,11-12,16-17H2,1-2H3;1H.
What are the key properties of 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride?
3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride has a molecular weight of 515.01 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride is sourced from PubChem (CID 165128359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).