3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine

C24H25N5O — CID 134806643

IUPAC3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCc1noc2c(-c3cccnc3NC3CCN(C)CC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H25N5O/c1-16-22-23(30-28-16)20(15-21(27-22)17-7-4-3-5-8-17)19-9-6-12-25-24(19)26-18-10-13-29(2)14-11-18/h3-9,12,15,18H,10-11,13-14H2,1-2H3,(H,25,26)
InChIKeyUDODJSWXUXHFDB-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.77
Rot. Bonds4

About 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine

3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine (PubChem CID 134806643) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
PubChem CID134806643
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCc1noc2c(-c3cccnc3NC3CCN(C)CC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H25N5O/c1-16-22-23(30-28-16)20(15-21(27-22)17-7-4-3-5-8-17)19-9-6-12-25-24(19)26-18-10-13-29(2)14-11-18/h3-9,12,15,18H,10-11,13-14H2,1-2H3,(H,25,26)
InChIKeyUDODJSWXUXHFDB-UHFFFAOYSA-N
XLogP4.77
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine (CID 134806643) is 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine is Cc1noc2c(-c3cccnc3NC3CCN(C)CC3)cc(-c3ccccc3)nc12.
What is the InChIKey of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is UDODJSWXUXHFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-16-22-23(30-28-16)20(15-21(27-22)17-7-4-3-5-8-17)19-9-6-12-25-24(19)26-18-10-13-29(2)14-11-18/h3-9,12,15,18H,10-11,13-14H2,1-2H3,(H,25,26).
What are the key properties of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 399.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 134806643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).