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

C21H18F2N6O — CID 172583079

IUPAC(4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone
SMILESCn1ncc2nc(-c3cnc4ccc(C(=O)N5CCC(F)(F)CC5)cc4n3)ccc21
InChIInChI=1S/C21H18F2N6O/c1-28-19-5-4-15(26-18(19)12-25-28)17-11-24-14-3-2-13(10-16(14)27-17)20(30)29-8-6-21(22,23)7-9-29/h2-5,10-12H,6-9H2,1H3
InChIKeyRYANOZHGIIIRIY-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.45
Rot. Bonds2

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

(4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone (PubChem CID 172583079) has the molecular formula C21H18F2N6O and a molecular weight of 408.41 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone
PubChem CID172583079
Molecular FormulaC21H18F2N6O
Molecular Weight408.41 g/mol
Exact Mass408.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone
SMILESCn1ncc2nc(-c3cnc4ccc(C(=O)N5CCC(F)(F)CC5)cc4n3)ccc21
InChIInChI=1S/C21H18F2N6O/c1-28-19-5-4-15(26-18(19)12-25-28)17-11-24-14-3-2-13(10-16(14)27-17)20(30)29-8-6-21(22,23)7-9-29/h2-5,10-12H,6-9H2,1H3
InChIKeyRYANOZHGIIIRIY-UHFFFAOYSA-N
XLogP3.45
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[3-[6-methanimidoyl-5-(methylamino)-2-pyridinyl]quinoxalin-6-yl]methanone
CID 172583116
[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 159555657
[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300412
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
[6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 168987901
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 157014393
[3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 172583210
(4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone
CID 122563535
(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
CID 123839744
(4,4-difluoropiperidin-1-yl)-[1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazol-5-yl]methanone
CID 167448558
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone (CID 172583079) is (4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone is Cn1ncc2nc(-c3cnc4ccc(C(=O)N5CCC(F)(F)CC5)cc4n3)ccc21.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone?
The InChIKey is RYANOZHGIIIRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O/c1-28-19-5-4-15(26-18(19)12-25-28)17-11-24-14-3-2-13(10-16(14)27-17)20(30)29-8-6-21(22,23)7-9-29/h2-5,10-12H,6-9H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone has a molecular weight of 408.41 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone is sourced from PubChem (CID 172583079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).