1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

C18H18N4O2 — CID 53368930

IUPAC1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)CC2c1cccc2cccnc12
InChIInChI=1S/C18H18N4O2/c1-10(2)22-17-15(18(24)21-22)13(9-14(23)20-17)12-7-3-5-11-6-4-8-19-16(11)12/h3-8,10,13H,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyAPMNOZSKAJAPEC-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.78
Rot. Bonds2

About 1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 53368930) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID53368930
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)CC2c1cccc2cccnc12
InChIInChI=1S/C18H18N4O2/c1-10(2)22-17-15(18(24)21-22)13(9-14(23)20-17)12-7-3-5-11-6-4-8-19-16(11)12/h3-8,10,13H,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyAPMNOZSKAJAPEC-UHFFFAOYSA-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 1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of 1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 53368930) is 1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for 1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for 1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is CC(C)n1[nH]c(=O)c2c1NC(=O)CC2c1cccc2cccnc12.
What is the InChIKey of 1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is APMNOZSKAJAPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10(2)22-17-15(18(24)21-22)13(9-14(23)20-17)12-7-3-5-11-6-4-8-19-16(11)12/h3-8,10,13H,9H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
1-propan-2-yl-4-quinolin-8-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 1-propan-2-yl-4-quinolin-8-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 53368930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).