[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone

C17H15F3N6O2 — CID 155155013

IUPAC[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone
SMILESO=C(c1noc2c1CN(c1ncnc3[nH]ccc13)CC2)N1CC(C(F)(F)F)C1
InChIInChI=1S/C17H15F3N6O2/c18-17(19,20)9-5-26(6-9)16(27)13-11-7-25(4-2-12(11)28-24-13)15-10-1-3-21-14(10)22-8-23-15/h1,3,8-9H,2,4-7H2,(H,21,22,23)
InChIKeyBYRSSANSWDOQDB-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.14
Rot. Bonds2

About [5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone

[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone (PubChem CID 155155013) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is [5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone
PubChem CID155155013
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone
SMILESO=C(c1noc2c1CN(c1ncnc3[nH]ccc13)CC2)N1CC(C(F)(F)F)C1
InChIInChI=1S/C17H15F3N6O2/c18-17(19,20)9-5-26(6-9)16(27)13-11-7-25(4-2-12(11)28-24-13)15-10-1-3-21-14(10)22-8-23-15/h1,3,8-9H,2,4-7H2,(H,21,22,23)
InChIKeyBYRSSANSWDOQDB-UHFFFAOYSA-N
XLogP2.14
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone?
The IUPAC name of [5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone (CID 155155013) is [5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone?
The canonical SMILES for [5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone is O=C(c1noc2c1CN(c1ncnc3[nH]ccc13)CC2)N1CC(C(F)(F)F)C1.
What is the InChIKey of [5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone?
The InChIKey is BYRSSANSWDOQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c18-17(19,20)9-5-26(6-9)16(27)13-11-7-25(4-2-12(11)28-24-13)15-10-1-3-21-14(10)22-8-23-15/h1,3,8-9H,2,4-7H2,(H,21,22,23).
What are the key properties of [5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone?
[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone has a molecular weight of 392.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 155155013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).