7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one

C22H21N5O — CID 44548056

IUPAC7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)N(C2CCc3ccccc32)c2nc(Nc3cccnc3)ncc21
InChIInChI=1S/C22H21N5O/c1-22(2)17-13-24-21(25-15-7-5-11-23-12-15)26-19(17)27(20(22)28)18-10-9-14-6-3-4-8-16(14)18/h3-8,11-13,18H,9-10H2,1-2H3,(H,24,25,26)
InChIKeyAPKZTNIHDKUHTG-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.93
Rot. Bonds3

About 7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one

7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 44548056) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID44548056
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)N(C2CCc3ccccc32)c2nc(Nc3cccnc3)ncc21
InChIInChI=1S/C22H21N5O/c1-22(2)17-13-24-21(25-15-7-5-11-23-12-15)26-19(17)27(20(22)28)18-10-9-14-6-3-4-8-16(14)18/h3-8,11-13,18H,9-10H2,1-2H3,(H,24,25,26)
InChIKeyAPKZTNIHDKUHTG-UHFFFAOYSA-N
XLogP3.93
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one (CID 44548056) is 7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)N(C2CCc3ccccc32)c2nc(Nc3cccnc3)ncc21.
What is the InChIKey of 7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is APKZTNIHDKUHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-22(2)17-13-24-21(25-15-7-5-11-23-12-15)26-19(17)27(20(22)28)18-10-9-14-6-3-4-8-16(14)18/h3-8,11-13,18H,9-10H2,1-2H3,(H,24,25,26).
What are the key properties of 7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one?
7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 371.44 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 44548056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).