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

C18H18N4O2 — CID 95389210

IUPAC(4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2c1ccc2ncccc2c1
InChIInChI=1S/C18H18N4O2/c1-10(2)22-17-16(18(24)21-22)13(9-15(23)20-17)11-5-6-14-12(8-11)4-3-7-19-14/h3-8,10,13H,9H2,1-2H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyFRZFGRLASILKHQ-CYBMUJFWSA-N
MW322.37 g/mol
LogP2.78
Rot. Bonds2

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

(4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 95389210) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name(4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID95389210
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2c1ccc2ncccc2c1
InChIInChI=1S/C18H18N4O2/c1-10(2)22-17-16(18(24)21-22)13(9-15(23)20-17)11-5-6-14-12(8-11)4-3-7-19-14/h3-8,10,13H,9H2,1-2H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyFRZFGRLASILKHQ-CYBMUJFWSA-N
XLogP2.78
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of (4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 95389210) is (4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for (4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for (4R)-1-propan-2-yl-4-quinolin-6-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]2c1ccc2ncccc2c1.
What is the InChIKey of (4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is FRZFGRLASILKHQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10(2)22-17-16(18(24)21-22)13(9-15(23)20-17)11-5-6-14-12(8-11)4-3-7-19-14/h3-8,10,13H,9H2,1-2H3,(H,20,23)(H,21,24)/t13-/m1/s1.
What are the key properties of (4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
(4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 322.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 95389210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).