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

C15H17N3O3 — CID 53368013

IUPAC4-(3-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)CC2c1cccc(O)c1
InChIInChI=1S/C15H17N3O3/c1-8(2)18-14-13(15(21)17-18)11(7-12(20)16-14)9-4-3-5-10(19)6-9/h3-6,8,11,19H,7H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyPZEAETQTTSETRP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.94
Rot. Bonds2

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

4-(3-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 53368013) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID53368013
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-(3-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)CC2c1cccc(O)c1
InChIInChI=1S/C15H17N3O3/c1-8(2)18-14-13(15(21)17-18)11(7-12(20)16-14)9-4-3-5-10(19)6-9/h3-6,8,11,19H,7H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyPZEAETQTTSETRP-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of 4-(3-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 53368013) is 4-(3-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for 4-(3-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for 4-(3-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)CC2c1cccc(O)c1.
What is the InChIKey of 4-(3-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is PZEAETQTTSETRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8(2)18-14-13(15(21)17-18)11(7-12(20)16-14)9-4-3-5-10(19)6-9/h3-6,8,11,19H,7H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of 4-(3-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
4-(3-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 4-(3-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 53368013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).