1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

C26H27N7O3 — CID 118974323

IUPAC1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2nc(-c3ccn4cnnc4c3)c(C)c(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C26H27N7O3/c1-15-24(18-8-9-33-14-28-31-22(33)11-18)29-26(30-25(15)23-16(2)32-36-17(23)3)19-6-5-7-21(10-19)35-13-20(34)12-27-4/h5-11,14,20,27,34H,12-13H2,1-4H3
InChIKeyAZALTTKYTVSFTO-UHFFFAOYSA-N
MW485.55 g/mol
LogP3.39
Rot. Bonds8

About 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 118974323) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
PubChem CID118974323
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Name1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2nc(-c3ccn4cnnc4c3)c(C)c(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C26H27N7O3/c1-15-24(18-8-9-33-14-28-31-22(33)11-18)29-26(30-25(15)23-16(2)32-36-17(23)3)19-6-5-7-21(10-19)35-13-20(34)12-27-4/h5-11,14,20,27,34H,12-13H2,1-4H3
InChIKeyAZALTTKYTVSFTO-UHFFFAOYSA-N
XLogP3.39
TPSA123.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 118974323) is 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cccc(-c2nc(-c3ccn4cnnc4c3)c(C)c(-c3c(C)noc3C)n2)c1.
What is the InChIKey of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is AZALTTKYTVSFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-15-24(18-8-9-33-14-28-31-22(33)11-18)29-26(30-25(15)23-16(2)32-36-17(23)3)19-6-5-7-21(10-19)35-13-20(34)12-27-4/h5-11,14,20,27,34H,12-13H2,1-4H3.
What are the key properties of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 485.55 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 118974323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).