7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one

C16H12ClN3O — CID 122654363

IUPAC7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one
SMILESCc1cc2cccnc2n1-c1cc(Cl)c2c(c1)CC(=O)N2
InChIInChI=1S/C16H12ClN3O/c1-9-5-10-3-2-4-18-16(10)20(9)12-6-11-7-14(21)19-15(11)13(17)8-12/h2-6,8H,7H2,1H3,(H,19,21)
InChIKeyNDKABCRXDVCVEA-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.48
Rot. Bonds1

About 7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one

7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 122654363) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one
PubChem CID122654363
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one
SMILESCc1cc2cccnc2n1-c1cc(Cl)c2c(c1)CC(=O)N2
InChIInChI=1S/C16H12ClN3O/c1-9-5-10-3-2-4-18-16(10)20(9)12-6-11-7-14(21)19-15(11)13(17)8-12/h2-6,8H,7H2,1H3,(H,19,21)
InChIKeyNDKABCRXDVCVEA-UHFFFAOYSA-N
XLogP3.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one (CID 122654363) is 7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one is Cc1cc2cccnc2n1-c1cc(Cl)c2c(c1)CC(=O)N2.
What is the InChIKey of 7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is NDKABCRXDVCVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c1-9-5-10-3-2-4-18-16(10)20(9)12-6-11-7-14(21)19-15(11)13(17)8-12/h2-6,8H,7H2,1H3,(H,19,21).
What are the key properties of 7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one?
7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 297.75 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).