6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C17H14N4O2 — CID 139220044

IUPAC6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC1(C)C(c2cnc3[nH]c(=O)[nH]c(=O)c3c2)=Nc2ccccc21
InChIInChI=1S/C17H14N4O2/c1-17(2)11-5-3-4-6-12(11)19-13(17)9-7-10-14(18-8-9)20-16(23)21-15(10)22/h3-8H,1-2H3,(H2,18,20,21,22,23)
InChIKeyWADKUNPOJFQJNF-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.02
Rot. Bonds1

About 6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 139220044) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID139220044
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC1(C)C(c2cnc3[nH]c(=O)[nH]c(=O)c3c2)=Nc2ccccc21
InChIInChI=1S/C17H14N4O2/c1-17(2)11-5-3-4-6-12(11)19-13(17)9-7-10-14(18-8-9)20-16(23)21-15(10)22/h3-8H,1-2H3,(H2,18,20,21,22,23)
InChIKeyWADKUNPOJFQJNF-UHFFFAOYSA-N
XLogP2.02
TPSA90.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 139220044) is 6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is CC1(C)C(c2cnc3[nH]c(=O)[nH]c(=O)c3c2)=Nc2ccccc21.
What is the InChIKey of 6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WADKUNPOJFQJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-17(2)11-5-3-4-6-12(11)19-13(17)9-7-10-14(18-8-9)20-16(23)21-15(10)22/h3-8H,1-2H3,(H2,18,20,21,22,23).
What are the key properties of 6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 306.33 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 139220044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).