[3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone

C21H20N6O2 — CID 172583210

IUPAC[3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone
SMILESCn1cc2cc(-c3cnc4ccc(C(=O)N5CCCOCC5)cc4n3)cnc2n1
InChIInChI=1S/C21H20N6O2/c1-26-13-16-9-15(11-23-20(16)25-26)19-12-22-17-4-3-14(10-18(17)24-19)21(28)27-5-2-7-29-8-6-27/h3-4,9-13H,2,5-8H2,1H3
InChIKeyVXNYSYRPYDLFAG-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.44
Rot. Bonds2

About [3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone

[3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone (PubChem CID 172583210) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is [3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone
PubChem CID172583210
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name[3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone
SMILESCn1cc2cc(-c3cnc4ccc(C(=O)N5CCCOCC5)cc4n3)cnc2n1
InChIInChI=1S/C21H20N6O2/c1-26-13-16-9-15(11-23-20(16)25-26)19-12-22-17-4-3-14(10-18(17)24-19)21(28)27-5-2-7-29-8-6-27/h3-4,9-13H,2,5-8H2,1H3
InChIKeyVXNYSYRPYDLFAG-UHFFFAOYSA-N
XLogP2.44
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone with MolForge

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Related Compounds

[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 159555657
[3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 172583305
[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300412
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid
CID 172583422
N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide
CID 135300348
N-hydroxy-3-(4-morpholin-4-ylphenyl)quinoxaline-6-carboxamide
CID 162733690
(4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone
CID 172583079
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
(6-fluoro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 63979575
6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one
CID 172583004

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of [3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone (CID 172583210) is [3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for [3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for [3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone is Cn1cc2cc(-c3cnc4ccc(C(=O)N5CCCOCC5)cc4n3)cnc2n1.
What is the InChIKey of [3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone?
The InChIKey is VXNYSYRPYDLFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-26-13-16-9-15(11-23-20(16)25-26)19-12-22-17-4-3-14(10-18(17)24-19)21(28)27-5-2-7-29-8-6-27/h3-4,9-13H,2,5-8H2,1H3.
What are the key properties of [3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone?
[3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone has a molecular weight of 388.43 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 172583210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).