1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone

C25H25N5O2 — CID 134805325

IUPAC1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncccc2-c2cc(-c3ccccc3)nc3c(C)noc23)CC1
InChIInChI=1S/C25H25N5O2/c1-16-23-24(32-29-16)21(15-22(28-23)18-7-4-3-5-8-18)20-9-6-12-26-25(20)27-19-10-13-30(14-11-19)17(2)31/h3-9,12,15,19H,10-11,13-14H2,1-2H3,(H,26,27)
InChIKeyPRYSDASJKWTEQB-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.68
Rot. Bonds4

About 1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone

1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone (PubChem CID 134805325) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone
PubChem CID134805325
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncccc2-c2cc(-c3ccccc3)nc3c(C)noc23)CC1
InChIInChI=1S/C25H25N5O2/c1-16-23-24(32-29-16)21(15-22(28-23)18-7-4-3-5-8-18)20-9-6-12-26-25(20)27-19-10-13-30(14-11-19)17(2)31/h3-9,12,15,19H,10-11,13-14H2,1-2H3,(H,26,27)
InChIKeyPRYSDASJKWTEQB-UHFFFAOYSA-N
XLogP4.68
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone (CID 134805325) is 1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ncccc2-c2cc(-c3ccccc3)nc3c(C)noc23)CC1.
What is the InChIKey of 1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The InChIKey is PRYSDASJKWTEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-23-24(32-29-16)21(15-22(28-23)18-7-4-3-5-8-18)20-9-6-12-26-25(20)27-19-10-13-30(14-11-19)17(2)31/h3-9,12,15,19H,10-11,13-14H2,1-2H3,(H,26,27).
What are the key properties of 1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone has a molecular weight of 427.51 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 134805325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).