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

C19H17F3N4O — CID 155518648

IUPAC[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)n1)N1CCCC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)17-7-1-5-14(25-17)18(27)26-9-3-4-12(11-26)15-10-16-13(24-15)6-2-8-23-16/h1-2,5-8,10,12,24H,3-4,9,11H2
InChIKeyIQZZJWFSJULHCV-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)-2-pyridinyl]methanone

[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 155518648) 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)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID155518648
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)-2-pyridinyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)n1)N1CCCC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)17-7-1-5-14(25-17)18(27)26-9-3-4-12(11-26)15-10-16-13(24-15)6-2-8-23-16/h1-2,5-8,10,12,24H,3-4,9,11H2
InChIKeyIQZZJWFSJULHCV-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)-2-pyridinyl]methanone?
The IUPAC name of [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone (CID 155518648) is [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone is O=C(c1cccc(C(F)(F)F)n1)N1CCCC(c2cc3ncccc3[nH]2)C1.
What is the InChIKey of [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is IQZZJWFSJULHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c20-19(21,22)17-7-1-5-14(25-17)18(27)26-9-3-4-12(11-26)15-10-16-13(24-15)6-2-8-23-16/h1-2,5-8,10,12,24H,3-4,9,11H2.
What are the key properties of [3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?
[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-2-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)-2-pyridinyl]methanone is sourced from PubChem (CID 155518648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).