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

C18H15N7O2 — CID 135902259

IUPAC(4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ncnc3nc[nH]c23)c2c1[C@@H](c1ccc(O)cc1)CC(=O)N2
InChIInChI=1S/C18H15N7O2/c1-9-14-12(10-2-4-11(26)5-3-10)6-13(27)23-17(14)25(24-9)18-15-16(20-7-19-15)21-8-22-18/h2-5,7-8,12,26H,6H2,1H3,(H,23,27)(H,19,20,21,22)/t12-/m1/s1
InChIKeyOFCQSUACKTUPRX-GFCCVEGCSA-N
MW361.37 g/mol
LogP2.03
Rot. Bonds2

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

(4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135902259) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is (4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135902259
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name(4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ncnc3nc[nH]c23)c2c1[C@@H](c1ccc(O)cc1)CC(=O)N2
InChIInChI=1S/C18H15N7O2/c1-9-14-12(10-2-4-11(26)5-3-10)6-13(27)23-17(14)25(24-9)18-15-16(20-7-19-15)21-8-22-18/h2-5,7-8,12,26H,6H2,1H3,(H,23,27)(H,19,20,21,22)/t12-/m1/s1
InChIKeyOFCQSUACKTUPRX-GFCCVEGCSA-N
XLogP2.03
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135902259) is (4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ncnc3nc[nH]c23)c2c1[C@@H](c1ccc(O)cc1)CC(=O)N2.
What is the InChIKey of (4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is OFCQSUACKTUPRX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-9-14-12(10-2-4-11(26)5-3-10)6-13(27)23-17(14)25(24-9)18-15-16(20-7-19-15)21-8-22-18/h2-5,7-8,12,26H,6H2,1H3,(H,23,27)(H,19,20,21,22)/t12-/m1/s1.
What are the key properties of (4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 361.37 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-hydroxyphenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135902259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).