5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one

C25H25N5O2 — CID 129104273

IUPAC5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cnc4c(c2)C(C)(C)C(=O)N4C)C(=O)C3(C)C)cn1
InChIInChI=1S/C25H25N5O2/c1-14-26-11-16(12-27-14)15-7-8-18-20(9-15)30(23(32)24(18,2)3)17-10-19-21(28-13-17)29(6)22(31)25(19,4)5/h7-13H,1-6H3
InChIKeyLPQZXFAKLZIAFI-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.06
Rot. Bonds2

About 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one

5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 129104273) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one
PubChem CID129104273
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cnc4c(c2)C(C)(C)C(=O)N4C)C(=O)C3(C)C)cn1
InChIInChI=1S/C25H25N5O2/c1-14-26-11-16(12-27-14)15-7-8-18-20(9-15)30(23(32)24(18,2)3)17-10-19-21(28-13-17)29(6)22(31)25(19,4)5/h7-13H,1-6H3
InChIKeyLPQZXFAKLZIAFI-UHFFFAOYSA-N
XLogP4.06
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one (CID 129104273) is 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one is Cc1ncc(-c2ccc3c(c2)N(c2cnc4c(c2)C(C)(C)C(=O)N4C)C(=O)C3(C)C)cn1.
What is the InChIKey of 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is LPQZXFAKLZIAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-14-26-11-16(12-27-14)15-7-8-18-20(9-15)30(23(32)24(18,2)3)17-10-19-21(28-13-17)29(6)22(31)25(19,4)5/h7-13H,1-6H3.
What are the key properties of 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one?
5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 427.51 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 129104273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).