4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C16H11F3N6O — CID 139339538

IUPAC4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ncoc1-c1ccc2c(-c3nc(N)ncc3C(F)(F)F)c[nH]c2n1
InChIInChI=1S/C16H11F3N6O/c1-7-13(26-6-23-7)11-3-2-8-9(4-21-14(8)24-11)12-10(16(17,18)19)5-22-15(20)25-12/h2-6H,1H3,(H,21,24)(H2,20,22,25)
InChIKeyOYSZDPJIXKHGEF-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.58
Rot. Bonds2

About 4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 139339538) has the molecular formula C16H11F3N6O and a molecular weight of 360.30 g/mol. Its IUPAC name is 4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID139339538
Molecular FormulaC16H11F3N6O
Molecular Weight360.30 g/mol
Exact Mass360.09
IUPAC Name4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ncoc1-c1ccc2c(-c3nc(N)ncc3C(F)(F)F)c[nH]c2n1
InChIInChI=1S/C16H11F3N6O/c1-7-13(26-6-23-7)11-3-2-8-9(4-21-14(8)24-11)12-10(16(17,18)19)5-22-15(20)25-12/h2-6H,1H3,(H,21,24)(H2,20,22,25)
InChIKeyOYSZDPJIXKHGEF-UHFFFAOYSA-N
XLogP3.58
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 139339538) is 4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is Cc1ncoc1-c1ccc2c(-c3nc(N)ncc3C(F)(F)F)c[nH]c2n1.
What is the InChIKey of 4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OYSZDPJIXKHGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O/c1-7-13(26-6-23-7)11-3-2-8-9(4-21-14(8)24-11)12-10(16(17,18)19)5-22-15(20)25-12/h2-6H,1H3,(H,21,24)(H2,20,22,25).
What are the key properties of 4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 360.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 139339538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).