(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone

C20H23N5O — CID 146126346

IUPAC(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)c3ccccc32)c2cnn(C(C)C)c2n1
InChIInChI=1S/C20H23N5O/c1-13(2)25-19-16(12-21-25)15(11-14(3)22-19)20(26)24-10-9-23(4)17-7-5-6-8-18(17)24/h5-8,11-13H,9-10H2,1-4H3
InChIKeyIUYPPZQVKOXKTE-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.42
Rot. Bonds2

About (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone

(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone (PubChem CID 146126346) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
PubChem CID146126346
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)c3ccccc32)c2cnn(C(C)C)c2n1
InChIInChI=1S/C20H23N5O/c1-13(2)25-19-16(12-21-25)15(11-14(3)22-19)20(26)24-10-9-23(4)17-7-5-6-8-18(17)24/h5-8,11-13H,9-10H2,1-4H3
InChIKeyIUYPPZQVKOXKTE-UHFFFAOYSA-N
XLogP3.42
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 110882472
(4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 75526408
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 119409294
N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 45490949
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 24541509
N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43054671
(1-oxo-1-phenylpropan-2-yl) 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 42928941
[4-(methylaminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 119542694
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 78885056
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 17481606
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 41406873
N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42152657

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone (CID 146126346) is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The canonical SMILES for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone is Cc1cc(C(=O)N2CCN(C)c3ccccc32)c2cnn(C(C)C)c2n1.
What is the InChIKey of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The InChIKey is IUYPPZQVKOXKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13(2)25-19-16(12-21-25)15(11-14(3)22-19)20(26)24-10-9-23(4)17-7-5-6-8-18(17)24/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone?
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 146126346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).