3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one

C22H19N5O — CID 129104202

IUPAC3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc4[nH]ccc24)C(=O)C3(C)C)cn1
InChIInChI=1S/C22H19N5O/c1-13-25-9-15(10-26-13)14-4-5-17-19(8-14)27(21(28)22(17,2)3)20-12-23-11-18-16(20)6-7-24-18/h4-12,24H,1-3H3
InChIKeyGXJMSBHSODGFPG-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.28
Rot. Bonds2

About 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one

3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one (PubChem CID 129104202) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one
PubChem CID129104202
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc4[nH]ccc24)C(=O)C3(C)C)cn1
InChIInChI=1S/C22H19N5O/c1-13-25-9-15(10-26-13)14-4-5-17-19(8-14)27(21(28)22(17,2)3)20-12-23-11-18-16(20)6-7-24-18/h4-12,24H,1-3H3
InChIKeyGXJMSBHSODGFPG-UHFFFAOYSA-N
XLogP4.28
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one?
The IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one (CID 129104202) is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one is Cc1ncc(-c2ccc3c(c2)N(c2cncc4[nH]ccc24)C(=O)C3(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one?
The InChIKey is GXJMSBHSODGFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-13-25-9-15(10-26-13)14-4-5-17-19(8-14)27(21(28)22(17,2)3)20-12-23-11-18-16(20)6-7-24-18/h4-12,24H,1-3H3.
What are the key properties of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one?
3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one has a molecular weight of 369.43 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one is sourced from PubChem (CID 129104202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).