4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one

C19H14ClN3O — CID 66793837

IUPAC4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2c1ccc(-c1cncc(-c3cccnc3)c1)c2Cl
InChIInChI=1S/C19H14ClN3O/c1-23-17-5-4-15(19(20)16(17)8-18(23)24)14-7-13(10-22-11-14)12-3-2-6-21-9-12/h2-7,9-11H,8H2,1H3
InChIKeyCTBPDRNEUVKHAV-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.98
Rot. Bonds2

About 4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one

4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one (PubChem CID 66793837) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one.

Molecular Properties

Compound Name4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one
PubChem CID66793837
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2c1ccc(-c1cncc(-c3cccnc3)c1)c2Cl
InChIInChI=1S/C19H14ClN3O/c1-23-17-5-4-15(19(20)16(17)8-18(23)24)14-7-13(10-22-11-14)12-3-2-6-21-9-12/h2-7,9-11H,8H2,1H3
InChIKeyCTBPDRNEUVKHAV-UHFFFAOYSA-N
XLogP3.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one?
The IUPAC name of 4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one (CID 66793837) is 4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one.
What is the SMILES notation for 4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one?
The canonical SMILES for 4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one is CN1C(=O)Cc2c1ccc(-c1cncc(-c3cccnc3)c1)c2Cl.
What is the InChIKey of 4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one?
The InChIKey is CTBPDRNEUVKHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-23-17-5-4-15(19(20)16(17)8-18(23)24)14-7-13(10-22-11-14)12-3-2-6-21-9-12/h2-7,9-11H,8H2,1H3.
What are the key properties of 4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one?
4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one has a molecular weight of 335.79 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one is sourced from PubChem (CID 66793837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).