6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline

C19H17ClN6O — CID 163354984

IUPAC6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline
SMILESClc1ccc2nc(N3CCC(Oc4ccn5nccc5n4)CC3)cnc2c1
InChIInChI=1S/C19H17ClN6O/c20-13-1-2-15-16(11-13)21-12-18(23-15)25-8-4-14(5-9-25)27-19-6-10-26-17(24-19)3-7-22-26/h1-3,6-7,10-12,14H,4-5,8-9H2
InChIKeyVTGXJWNXSBRNRS-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.37
Rot. Bonds3

About 6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline

6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline (PubChem CID 163354984) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline.

Molecular Properties

Compound Name6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline
PubChem CID163354984
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline
SMILESClc1ccc2nc(N3CCC(Oc4ccn5nccc5n4)CC3)cnc2c1
InChIInChI=1S/C19H17ClN6O/c20-13-1-2-15-16(11-13)21-12-18(23-15)25-8-4-14(5-9-25)27-19-6-10-26-17(24-19)3-7-22-26/h1-3,6-7,10-12,14H,4-5,8-9H2
InChIKeyVTGXJWNXSBRNRS-UHFFFAOYSA-N
XLogP3.37
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
CID 163354823
5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
CID 163354855
6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline
CID 171691657
6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline
CID 166603714
4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 163352979
6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline
CID 163349464
5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163354956
2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 163354425
2-(1-quinoxalin-2-ylpiperidin-4-yl)oxyethanamine
CID 82692840
6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline
CID 172893506
3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine
CID 79737038

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline?
The IUPAC name of 6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline (CID 163354984) is 6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline.
What is the SMILES notation for 6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline?
The canonical SMILES for 6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline is Clc1ccc2nc(N3CCC(Oc4ccn5nccc5n4)CC3)cnc2c1.
What is the InChIKey of 6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline?
The InChIKey is VTGXJWNXSBRNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c20-13-1-2-15-16(11-13)21-12-18(23-15)25-8-4-14(5-9-25)27-19-6-10-26-17(24-19)3-7-22-26/h1-3,6-7,10-12,14H,4-5,8-9H2.
What are the key properties of 6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline?
6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline has a molecular weight of 380.84 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)quinoxaline is sourced from PubChem (CID 163354984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).