3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

C18H17F3N4O — CID 133490283

IUPAC3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)Oc1ccc(N2CCC(c3c[nH]c4ncccc34)CC2)nc1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)26-13-3-4-16(23-10-13)25-8-5-12(6-9-25)15-11-24-17-14(15)2-1-7-22-17/h1-4,7,10-12H,5-6,8-9H2,(H,22,24)
InChIKeySPYCTSDXNIKKNE-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.24
Rot. Bonds3

About 3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 133490283) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID133490283
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)Oc1ccc(N2CCC(c3c[nH]c4ncccc34)CC2)nc1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)26-13-3-4-16(23-10-13)25-8-5-12(6-9-25)15-11-24-17-14(15)2-1-7-22-17/h1-4,7,10-12H,5-6,8-9H2,(H,22,24)
InChIKeySPYCTSDXNIKKNE-UHFFFAOYSA-N
XLogP4.24
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 133490283) is 3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)Oc1ccc(N2CCC(c3c[nH]c4ncccc34)CC2)nc1.
What is the InChIKey of 3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SPYCTSDXNIKKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c19-18(20,21)26-13-3-4-16(23-10-13)25-8-5-12(6-9-25)15-11-24-17-14(15)2-1-7-22-17/h1-4,7,10-12H,5-6,8-9H2,(H,22,24).
What are the key properties of 3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 362.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 133490283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).