(3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone

C22H24N4O2 — CID 110240767

IUPAC(3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CCCC3c3ncc4c(n3)CCNC4)c(C)c2c1
InChIInChI=1S/C22H24N4O2/c1-13-5-6-19-16(10-13)14(2)20(28-19)22(27)26-9-3-4-18(26)21-24-12-15-11-23-8-7-17(15)25-21/h5-6,10,12,18,23H,3-4,7-9,11H2,1-2H3
InChIKeyQJTXXGKFQOHJCG-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.46
Rot. Bonds2

About (3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone

(3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 110240767) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID110240767
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CCCC3c3ncc4c(n3)CCNC4)c(C)c2c1
InChIInChI=1S/C22H24N4O2/c1-13-5-6-19-16(10-13)14(2)20(28-19)22(27)26-9-3-4-18(26)21-24-12-15-11-23-8-7-17(15)25-21/h5-6,10,12,18,23H,3-4,7-9,11H2,1-2H3
InChIKeyQJTXXGKFQOHJCG-UHFFFAOYSA-N
XLogP3.46
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-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

Related Compounds

(1,5-dimethylindol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92560246
2-(2,5-dimethyl-1H-indol-3-yl)-1-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 92560099
5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92571763
(2,6-dimethoxyphenyl)-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92600499
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92552434
2-cyclopentyl-1-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 92567872
1-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 92596439
2,2-diphenyl-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110240727
3,4-dihydro-1H-isochromen-1-yl-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 110240779
(3R)-1-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-one
CID 92596109
[4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 110247617
3-(4-methoxyphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110240725

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone (CID 110240767) is (3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone is Cc1ccc2oc(C(=O)N3CCCC3c3ncc4c(n3)CCNC4)c(C)c2c1.
What is the InChIKey of (3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QJTXXGKFQOHJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-13-5-6-19-16(10-13)14(2)20(28-19)22(27)26-9-3-4-18(26)21-24-12-15-11-23-8-7-17(15)25-21/h5-6,10,12,18,23H,3-4,7-9,11H2,1-2H3.
What are the key properties of (3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
(3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110240767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).