[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C19H17F3N4O — CID 155552690

IUPAC[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCCC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)17-6-5-12(10-24-17)18(27)26-8-2-3-13(11-26)15-9-16-14(25-15)4-1-7-23-16/h1,4-7,9-10,13,25H,2-3,8,11H2
InChIKeyOUPIDEAYKWCYML-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.00
Rot. Bonds2

About [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 155552690) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID155552690
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCCC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)17-6-5-12(10-24-17)18(27)26-8-2-3-13(11-26)15-9-16-14(25-15)4-1-7-23-16/h1,4-7,9-10,13,25H,2-3,8,11H2
InChIKeyOUPIDEAYKWCYML-UHFFFAOYSA-N
XLogP4.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 155552690) is [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCCC(c2cc3ncccc3[nH]2)C1.
What is the InChIKey of [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is OUPIDEAYKWCYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c20-19(21,22)17-6-5-12(10-24-17)18(27)26-8-2-3-13(11-26)15-9-16-14(25-15)4-1-7-23-16/h1,4-7,9-10,13,25H,2-3,8,11H2.
What are the key properties of [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 374.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 155552690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).