[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone

C16H13F3N4O2 — CID 155516855

IUPAC[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)no1)N1CCC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C16H13F3N4O2/c17-16(18,19)14-7-13(25-22-14)15(24)23-5-3-9(8-23)11-6-12-10(21-11)2-1-4-20-12/h1-2,4,6-7,9,21H,3,5,8H2
InChIKeyDEPQGJPHXLAVKL-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.20
Rot. Bonds2

About [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone

[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone (PubChem CID 155516855) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
PubChem CID155516855
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)no1)N1CCC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C16H13F3N4O2/c17-16(18,19)14-7-13(25-22-14)15(24)23-5-3-9(8-23)11-6-12-10(21-11)2-1-4-20-12/h1-2,4,6-7,9,21H,3,5,8H2
InChIKeyDEPQGJPHXLAVKL-UHFFFAOYSA-N
XLogP3.20
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
The IUPAC name of [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone (CID 155516855) is [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone is O=C(c1cc(C(F)(F)F)no1)N1CCC(c2cc3ncccc3[nH]2)C1.
What is the InChIKey of [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
The InChIKey is DEPQGJPHXLAVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c17-16(18,19)14-7-13(25-22-14)15(24)23-5-3-9(8-23)11-6-12-10(21-11)2-1-4-20-12/h1-2,4,6-7,9,21H,3,5,8H2.
What are the key properties of [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 350.30 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 155516855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).