(4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C19H20N4O — CID 136820631

IUPAC(4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCC(C)(C)c1[nH]nc2c1[C@@H](c1ccnc3ccccc13)CC(=O)N2
InChIInChI=1S/C19H20N4O/c1-19(2,3)17-16-13(10-15(24)21-18(16)23-22-17)11-8-9-20-14-7-5-4-6-12(11)14/h4-9,13H,10H2,1-3H3,(H2,21,22,23,24)/t13-/m1/s1
InChIKeySUZQYSKCANJJSX-CYBMUJFWSA-N
MW320.40 g/mol
LogP3.73
Rot. Bonds1

About (4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

(4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 136820631) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID136820631
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCC(C)(C)c1[nH]nc2c1[C@@H](c1ccnc3ccccc13)CC(=O)N2
InChIInChI=1S/C19H20N4O/c1-19(2,3)17-16-13(10-15(24)21-18(16)23-22-17)11-8-9-20-14-7-5-4-6-12(11)14/h4-9,13H,10H2,1-3H3,(H2,21,22,23,24)/t13-/m1/s1
InChIKeySUZQYSKCANJJSX-CYBMUJFWSA-N
XLogP3.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 136820631) is (4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is CC(C)(C)c1[nH]nc2c1[C@@H](c1ccnc3ccccc13)CC(=O)N2.
What is the InChIKey of (4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is SUZQYSKCANJJSX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4O/c1-19(2,3)17-16-13(10-15(24)21-18(16)23-22-17)11-8-9-20-14-7-5-4-6-12(11)14/h4-9,13H,10H2,1-3H3,(H2,21,22,23,24)/t13-/m1/s1.
What are the key properties of (4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
(4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 320.40 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136820631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).