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

C17H15F3N4O2 — CID 155516917

IUPAC[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)no1)N1CCCC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)15-8-14(26-23-15)16(25)24-6-2-3-10(9-24)12-7-13-11(22-12)4-1-5-21-13/h1,4-5,7-8,10,22H,2-3,6,9H2
InChIKeyMNKDWPQWYVYQPR-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.59
Rot. Bonds2

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

[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone (PubChem CID 155516917) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
PubChem CID155516917
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)no1)N1CCCC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)15-8-14(26-23-15)16(25)24-6-2-3-10(9-24)12-7-13-11(22-12)4-1-5-21-13/h1,4-5,7-8,10,22H,2-3,6,9H2
InChIKeyMNKDWPQWYVYQPR-UHFFFAOYSA-N
XLogP3.59
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.59
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)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
The IUPAC name of [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone (CID 155516917) is [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-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)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone is O=C(c1cc(C(F)(F)F)no1)N1CCCC(c2cc3ncccc3[nH]2)C1.
What is the InChIKey of [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
The InChIKey is MNKDWPQWYVYQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c18-17(19,20)15-8-14(26-23-15)16(25)24-6-2-3-10(9-24)12-7-13-11(22-12)4-1-5-21-13/h1,4-5,7-8,10,22H,2-3,6,9H2.
What are the key properties of [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 364.33 g/mol, XLogP of 3.59, 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)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 155516917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).