(4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

C15H17N3O3 — CID 95390778

IUPAC(4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2c1ccc(O)cc1
InChIInChI=1S/C15H17N3O3/c1-8(2)18-14-13(15(21)17-18)11(7-12(20)16-14)9-3-5-10(19)6-4-9/h3-6,8,11,19H,7H2,1-2H3,(H,16,20)(H,17,21)/t11-/m1/s1
InChIKeyALJRQAAQHMSUFZ-LLVKDONJSA-N
MW287.32 g/mol
LogP1.94
Rot. Bonds2

About (4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

(4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 95390778) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name(4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID95390778
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2c1ccc(O)cc1
InChIInChI=1S/C15H17N3O3/c1-8(2)18-14-13(15(21)17-18)11(7-12(20)16-14)9-3-5-10(19)6-4-9/h3-6,8,11,19H,7H2,1-2H3,(H,16,20)(H,17,21)/t11-/m1/s1
InChIKeyALJRQAAQHMSUFZ-LLVKDONJSA-N
XLogP1.94
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-(difluoromethoxy)phenyl)-1-isopropyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,7H)-dione
CID 53369636
4-(3-hydroxyphenyl)-1-isopropyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,7H)-dione
CID 53368013
1-cyclopentyl-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1,2,4,5-tetrahydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 53369280
1-cyclohexyl-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1,2,4,5-tetrahydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 53371186
6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 127035592
(4R)-1-cyclopentyl-4-(4-hydroxy-3-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95388631
(4R)-1-cyclooctyl-4-(3-hydroxy-4-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95388639
(4R)-1-cyclohexyl-4-(3-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95388663
(4R)-1-cyclohexyl-4-(4-hydroxy-3-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95388829
(4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389547
(4R)-4-(3-chloro-4-hydroxyphenyl)-1-cyclooctyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389742
(4R)-4-(3-methoxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389911

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of (4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 95390778) is (4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for (4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for (4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2c1ccc(O)cc1.
What is the InChIKey of (4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is ALJRQAAQHMSUFZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8(2)18-14-13(15(21)17-18)11(7-12(20)16-14)9-3-5-10(19)6-4-9/h3-6,8,11,19H,7H2,1-2H3,(H,16,20)(H,17,21)/t11-/m1/s1.
What are the key properties of (4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
(4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 287.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 95390778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).