3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C16H20N4O2 — CID 171910407

IUPAC3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1cncc(C2CC(=O)Nc3n[nH]c(C(C)(C)C)c32)c1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)14-13-11(6-12(21)18-15(13)20-19-14)9-5-10(22-4)8-17-7-9/h5,7-8,11H,6H2,1-4H3,(H2,18,19,20,21)
InChIKeyCPEHCCYCTPKGBB-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.58
Rot. Bonds2

About 3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 171910407) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID171910407
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1cncc(C2CC(=O)Nc3n[nH]c(C(C)(C)C)c32)c1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)14-13-11(6-12(21)18-15(13)20-19-14)9-5-10(22-4)8-17-7-9/h5,7-8,11H,6H2,1-4H3,(H2,18,19,20,21)
InChIKeyCPEHCCYCTPKGBB-UHFFFAOYSA-N
XLogP2.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-tert-butyl-4-[4-(2H-tetrazol-5-yl)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171914995
7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 171911501
(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136915567
3-[3-(4-methoxyphenyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]benzoic acid
CID 169416965
4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171913942
3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169418224
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169415895
3-[(2S)-aziridin-2-yl]-5-methoxypyridine
CID 55263273
(5S)-5-(3-methoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135577791
2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637717
(4S)-3-anilino-4-(3,4,5-trimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135931021
(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 171910407) is 3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is COc1cncc(C2CC(=O)Nc3n[nH]c(C(C)(C)C)c32)c1.
What is the InChIKey of 3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is CPEHCCYCTPKGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(2,3)14-13-11(6-12(21)18-15(13)20-19-14)9-5-10(22-4)8-17-7-9/h5,7-8,11H,6H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 300.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(5-methoxy-3-pyridinyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 171910407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).