2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C23H26N4O2 — CID 92601018

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCc1cc(C)c2c(CC(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)coc2c1
InChIInChI=1S/C23H26N4O2/c1-14-8-15(2)22-16(13-29-20(22)9-14)10-21(28)27-7-5-18-17(12-27)11-25-23(26-18)19-4-3-6-24-19/h8-9,11,13,19,24H,3-7,10,12H2,1-2H3/t19-/m0/s1
InChIKeyQDTMCLBBCFTGEE-IBGZPJMESA-N
MW390.49 g/mol
LogP3.39
Rot. Bonds3

About 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92601018) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID92601018
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCc1cc(C)c2c(CC(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)coc2c1
InChIInChI=1S/C23H26N4O2/c1-14-8-15(2)22-16(13-29-20(22)9-14)10-21(28)27-7-5-18-17(12-27)11-25-23(26-18)19-4-3-6-24-19/h8-9,11,13,19,24H,3-7,10,12H2,1-2H3/t19-/m0/s1
InChIKeyQDTMCLBBCFTGEE-IBGZPJMESA-N
XLogP3.39
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone 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 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92601018) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is Cc1cc(C)c2c(CC(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)coc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is QDTMCLBBCFTGEE-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-8-15(2)22-16(13-29-20(22)9-14)10-21(28)27-7-5-18-17(12-27)11-25-23(26-18)19-4-3-6-24-19/h8-9,11,13,19,24H,3-7,10,12H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 390.49 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92601018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).