3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C23H21N9O2 — CID 135634398

IUPAC3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ncnc3nc[nH]c23)c2c1C(c1ccc(OCCn3cccn3)cc1)CC(=O)N2
InChIInChI=1S/C23H21N9O2/c1-14-19-17(15-3-5-16(6-4-15)34-10-9-31-8-2-7-28-31)11-18(33)29-22(19)32(30-14)23-20-21(25-12-24-20)26-13-27-23/h2-8,12-13,17H,9-11H2,1H3,(H,29,33)(H,24,25,26,27)
InChIKeyKHRFBMCNHHCGKV-UHFFFAOYSA-N
MW455.48 g/mol
LogP2.60
Rot. Bonds6

About 3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135634398) has the molecular formula C23H21N9O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is 3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135634398
Molecular FormulaC23H21N9O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC Name3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ncnc3nc[nH]c23)c2c1C(c1ccc(OCCn3cccn3)cc1)CC(=O)N2
InChIInChI=1S/C23H21N9O2/c1-14-19-17(15-3-5-16(6-4-15)34-10-9-31-8-2-7-28-31)11-18(33)29-22(19)32(30-14)23-20-21(25-12-24-20)26-13-27-23/h2-8,12-13,17H,9-11H2,1H3,(H,29,33)(H,24,25,26,27)
InChIKeyKHRFBMCNHHCGKV-UHFFFAOYSA-N
XLogP2.60
TPSA128.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-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

4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634929
4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile
CID 135634936
[4-[(4S)-3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenyl] 2-phenylacetate
CID 136899750
(4R)-3-methyl-1-(7H-purin-6-yl)-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135898299
4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634955
(4S)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135902718
(4R)-4-(2,5-dimethoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135898278
N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide
CID 135634335
(4R)-4-(2-bromophenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135898244
(4S)-4-(2-bromophenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135898245
3-methyl-4-[3-(naphthalen-1-ylmethoxy)phenyl]-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634352
4-(3-methoxy-4-prop-2-ynoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634897

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135634398) is 3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ncnc3nc[nH]c23)c2c1C(c1ccc(OCCn3cccn3)cc1)CC(=O)N2.
What is the InChIKey of 3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is KHRFBMCNHHCGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9O2/c1-14-19-17(15-3-5-16(6-4-15)34-10-9-31-8-2-7-28-31)11-18(33)29-22(19)32(30-14)23-20-21(25-12-24-20)26-13-27-23/h2-8,12-13,17H,9-11H2,1H3,(H,29,33)(H,24,25,26,27).
What are the key properties of 3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 455.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(7H-purin-6-yl)-4-[4-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135634398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).