5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one

C18H14F3N3O2 — CID 122654473

IUPAC5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(CO)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C18H14F3N3O2/c1-9-4-12(6-11-7-15(26)23-16(9)11)24-13(8-25)5-10-2-3-14(18(19,20)21)22-17(10)24/h2-6,25H,7-8H2,1H3,(H,23,26)
InChIKeyTULBSNXWXRCWDP-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.34
Rot. Bonds2

About 5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one

5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 122654473) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID122654473
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(CO)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C18H14F3N3O2/c1-9-4-12(6-11-7-15(26)23-16(9)11)24-13(8-25)5-10-2-3-14(18(19,20)21)22-17(10)24/h2-6,25H,7-8H2,1H3,(H,23,26)
InChIKeyTULBSNXWXRCWDP-UHFFFAOYSA-N
XLogP3.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one (CID 122654473) is 5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-n2c(CO)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2.
What is the InChIKey of 5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is TULBSNXWXRCWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-9-4-12(6-11-7-15(26)23-16(9)11)24-13(8-25)5-10-2-3-14(18(19,20)21)22-17(10)24/h2-6,25H,7-8H2,1H3,(H,23,26).
What are the key properties of 5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 361.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).