3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one

C20H28N6O — CID 56874218

IUPAC3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCc2c(nc(C)nc2N2CCCC2)C1
InChIInChI=1S/C20H28N6O/c1-3-18-21-8-13-24(18)12-7-19(27)26-11-6-16-17(14-26)22-15(2)23-20(16)25-9-4-5-10-25/h8,13H,3-7,9-12,14H2,1-2H3
InChIKeyPDBKETBHFDRUEA-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.12
Rot. Bonds5

About 3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one

3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one (PubChem CID 56874218) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one
PubChem CID56874218
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCc2c(nc(C)nc2N2CCCC2)C1
InChIInChI=1S/C20H28N6O/c1-3-18-21-8-13-24(18)12-7-19(27)26-11-6-16-17(14-26)22-15(2)23-20(16)25-9-4-5-10-25/h8,13H,3-7,9-12,14H2,1-2H3
InChIKeyPDBKETBHFDRUEA-UHFFFAOYSA-N
XLogP2.12
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one (CID 56874218) is 3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one is CCc1nccn1CCC(=O)N1CCc2c(nc(C)nc2N2CCCC2)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one?
The InChIKey is PDBKETBHFDRUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-3-18-21-8-13-24(18)12-7-19(27)26-11-6-16-17(14-26)22-15(2)23-20(16)25-9-4-5-10-25/h8,13H,3-7,9-12,14H2,1-2H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one?
3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one has a molecular weight of 368.49 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one is sourced from PubChem (CID 56874218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).