[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C22H26N4O2 — CID 92584779

IUPAC[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESC[C@H]1Cc2cc(C(=O)N3CCc4nc([C@H]5CCCCN5)ncc4C3)ccc2O1
InChIInChI=1S/C22H26N4O2/c1-14-10-16-11-15(5-6-20(16)28-14)22(27)26-9-7-18-17(13-26)12-24-21(25-18)19-4-2-3-8-23-19/h5-6,11-12,14,19,23H,2-4,7-10,13H2,1H3/t14-,19+/m0/s1
InChIKeyDTBKCMZUXJFLSG-IFXJQAMLSA-N
MW378.48 g/mol
LogP2.81
Rot. Bonds2

About [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 92584779) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID92584779
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESC[C@H]1Cc2cc(C(=O)N3CCc4nc([C@H]5CCCCN5)ncc4C3)ccc2O1
InChIInChI=1S/C22H26N4O2/c1-14-10-16-11-15(5-6-20(16)28-14)22(27)26-9-7-18-17(13-26)12-24-21(25-18)19-4-2-3-8-23-19/h5-6,11-12,14,19,23H,2-4,7-10,13H2,1H3/t14-,19+/m0/s1
InChIKeyDTBKCMZUXJFLSG-IFXJQAMLSA-N
XLogP2.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone 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 [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 92584779) is [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is C[C@H]1Cc2cc(C(=O)N3CCc4nc([C@H]5CCCCN5)ncc4C3)ccc2O1.
What is the InChIKey of [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is DTBKCMZUXJFLSG-IFXJQAMLSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-10-16-11-15(5-6-20(16)28-14)22(27)26-9-7-18-17(13-26)12-24-21(25-18)19-4-2-3-8-23-19/h5-6,11-12,14,19,23H,2-4,7-10,13H2,1H3/t14-,19+/m0/s1.
What are the key properties of [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 92584779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).