5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C23H30N6O3 — CID 135440149

IUPAC5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCCN1CCN(C(=O)COc2ccccc2Cc2nc3c(C(C)C)[nH]nc3c(=O)[nH]2)CC1
InChIInChI=1S/C23H30N6O3/c1-4-28-9-11-29(12-10-28)19(30)14-32-17-8-6-5-7-16(17)13-18-24-21-20(15(2)3)26-27-22(21)23(31)25-18/h5-8,15H,4,9-14H2,1-3H3,(H,26,27)(H,24,25,31)
InChIKeyQNTUSKGWHROCCP-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.90
Rot. Bonds7

About 5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135440149) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135440149
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCCN1CCN(C(=O)COc2ccccc2Cc2nc3c(C(C)C)[nH]nc3c(=O)[nH]2)CC1
InChIInChI=1S/C23H30N6O3/c1-4-28-9-11-29(12-10-28)19(30)14-32-17-8-6-5-7-16(17)13-18-24-21-20(15(2)3)26-27-22(21)23(31)25-18/h5-8,15H,4,9-14H2,1-3H3,(H,26,27)(H,24,25,31)
InChIKeyQNTUSKGWHROCCP-UHFFFAOYSA-N
XLogP1.90
TPSA107.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one with MolForge

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

Launch Full Analysis

Related Compounds

5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135540509
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135721203
1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110849960
1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 56824387
2-[2-[(1-hydroxypropan-2-ylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 111469398
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426
2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108569933
2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide
CID 60529408
5-(4-phenylbutyl)-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135721214

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 135440149) is 5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CCN1CCN(C(=O)COc2ccccc2Cc2nc3c(C(C)C)[nH]nc3c(=O)[nH]2)CC1.
What is the InChIKey of 5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is QNTUSKGWHROCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-4-28-9-11-29(12-10-28)19(30)14-32-17-8-6-5-7-16(17)13-18-24-21-20(15(2)3)26-27-22(21)23(31)25-18/h5-8,15H,4,9-14H2,1-3H3,(H,26,27)(H,24,25,31).
What are the key properties of 5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 438.53 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135440149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).