methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate

C19H20N8O2 — CID 67411211

IUPACmethyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ncc3ncn(-c4ccc5cn[nH]c5c4)c3n2)CC1
InChIInChI=1S/C19H20N8O2/c1-29-17(28)11-25-4-6-26(7-5-25)19-20-10-16-18(23-19)27(12-21-16)14-3-2-13-9-22-24-15(13)8-14/h2-3,8-10,12H,4-7,11H2,1H3,(H,22,24)
InChIKeyCHZSUXQZBFHSTH-UHFFFAOYSA-N
MW392.42 g/mol
LogP0.99
Rot. Bonds4

About methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate

methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate (PubChem CID 67411211) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate
PubChem CID67411211
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Namemethyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ncc3ncn(-c4ccc5cn[nH]c5c4)c3n2)CC1
InChIInChI=1S/C19H20N8O2/c1-29-17(28)11-25-4-6-26(7-5-25)19-20-10-16-18(23-19)27(12-21-16)14-3-2-13-9-22-24-15(13)8-14/h2-3,8-10,12H,4-7,11H2,1H3,(H,22,24)
InChIKeyCHZSUXQZBFHSTH-UHFFFAOYSA-N
XLogP0.99
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate 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

Entospletinib
CID 59473233
3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}-1-pyridin-3-ylurea
CID 135909514
N2-(2,6-dimorpholinopyridin-4-yl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645046
N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 59473368
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078
US10513523, Example 10
CID 122655975
N-[4-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 156011601
6-(1H-indazol-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 156012031
N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 24857738
4-(3-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imidazol-1-yl)propyl)morpholine
CID 25165280
4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imidazol-1-yl)ethyl)morpholine
CID 25165481

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate (CID 67411211) is methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate is COC(=O)CN1CCN(c2ncc3ncn(-c4ccc5cn[nH]c5c4)c3n2)CC1.
What is the InChIKey of methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate?
The InChIKey is CHZSUXQZBFHSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-29-17(28)11-25-4-6-26(7-5-25)19-20-10-16-18(23-19)27(12-21-16)14-3-2-13-9-22-24-15(13)8-14/h2-3,8-10,12H,4-7,11H2,1H3,(H,22,24).
What are the key properties of methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate?
methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate has a molecular weight of 392.42 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate is sourced from PubChem (CID 67411211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).