5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine

C19H16F2N6O — CID 70648859

IUPAC5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5CCC(F)(F)CC5)nc4n3)ccc2o1
InChIInChI=1S/C19H16F2N6O/c20-19(21)5-7-27(8-6-19)16-10-23-13-3-2-12(24-17(13)26-16)11-1-4-15-14(9-11)25-18(22)28-15/h1-4,9-10H,5-8H2,(H2,22,25)
InChIKeyLVARWLPSVNIHCU-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.65
Rot. Bonds2

About 5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine

5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70648859) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is 5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70648859
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC Name5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5CCC(F)(F)CC5)nc4n3)ccc2o1
InChIInChI=1S/C19H16F2N6O/c20-19(21)5-7-27(8-6-19)16-10-23-13-3-2-12(24-17(13)26-16)11-1-4-15-14(9-11)25-18(22)28-15/h1-4,9-10H,5-8H2,(H2,22,25)
InChIKeyLVARWLPSVNIHCU-UHFFFAOYSA-N
XLogP3.65
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (CID 70648859) is 5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncc(N5CCC(F)(F)CC5)nc4n3)ccc2o1.
What is the InChIKey of 5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is LVARWLPSVNIHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c20-19(21)5-7-27(8-6-19)16-10-23-13-3-2-12(24-17(13)26-16)11-1-4-15-14(9-11)25-18(22)28-15/h1-4,9-10H,5-8H2,(H2,22,25).
What are the key properties of 5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 382.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70648859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).