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

C19H17N7O2 — CID 135902633

IUPAC(4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
InChIInChI=1S/C19H17N7O2/c1-10-15-12(11-5-3-4-6-13(11)28-2)7-14(27)24-18(15)26(25-10)19-16-17(21-8-20-16)22-9-23-19/h3-6,8-9,12H,7H2,1-2H3,(H,24,27)(H,20,21,22,23)/t12-/m1/s1
InChIKeyZCJMOIDSENZIQC-GFCCVEGCSA-N
MW375.39 g/mol
LogP2.33
Rot. Bonds3

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

(4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135902633) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is (4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135902633
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name(4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
InChIInChI=1S/C19H17N7O2/c1-10-15-12(11-5-3-4-6-13(11)28-2)7-14(27)24-18(15)26(25-10)19-16-17(21-8-20-16)22-9-23-19/h3-6,8-9,12H,7H2,1-2H3,(H,24,27)(H,20,21,22,23)/t12-/m1/s1
InChIKeyZCJMOIDSENZIQC-GFCCVEGCSA-N
XLogP2.33
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135902633) is (4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12.
What is the InChIKey of (4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ZCJMOIDSENZIQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17N7O2/c1-10-15-12(11-5-3-4-6-13(11)28-2)7-14(27)24-18(15)26(25-10)19-16-17(21-8-20-16)22-9-23-19/h3-6,8-9,12H,7H2,1-2H3,(H,24,27)(H,20,21,22,23)/t12-/m1/s1.
What are the key properties of (4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 375.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135902633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).