[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C25H25N5O2 — CID 134036741

IUPAC[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(Cc4ccncc4)CC3)c3c(C)noc3n2)cc1
InChIInChI=1S/C25H25N5O2/c1-17-3-5-20(6-4-17)22-15-21(23-18(2)28-32-24(23)27-22)25(31)30-13-11-29(12-14-30)16-19-7-9-26-10-8-19/h3-10,15H,11-14,16H2,1-2H3
InChIKeyLIAYDSTVTAPSEY-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.86
Rot. Bonds4

About [3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 134036741) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is [3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID134036741
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(Cc4ccncc4)CC3)c3c(C)noc3n2)cc1
InChIInChI=1S/C25H25N5O2/c1-17-3-5-20(6-4-17)22-15-21(23-18(2)28-32-24(23)27-22)25(31)30-13-11-29(12-14-30)16-19-7-9-26-10-8-19/h3-10,15H,11-14,16H2,1-2H3
InChIKeyLIAYDSTVTAPSEY-UHFFFAOYSA-N
XLogP3.86
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 24644677
(4-benzylpiperazin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30697310
[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 44821844
[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 44824847
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 44822021
(4-aminopiperidin-1-yl)-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 119373432
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 86905236
1,4-diazepan-1-yl-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 119414802
ethyl 4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 45493259
[4-(ethylaminomethyl)piperidin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 119644806
[4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 112810061
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 35962961

Frequently Asked Questions

What is the IUPAC name of [3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 134036741) is [3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccncc4)CC3)c3c(C)noc3n2)cc1.
What is the InChIKey of [3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is LIAYDSTVTAPSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-17-3-5-20(6-4-17)22-15-21(23-18(2)28-32-24(23)27-22)25(31)30-13-11-29(12-14-30)16-19-7-9-26-10-8-19/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of [3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 427.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 134036741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).