3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C16H23N5O3S — CID 128999601

IUPAC3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(S(=O)(=O)c1cn(CC(C)C)cn1)C2
InChIInChI=1S/C16H23N5O3S/c1-4-20-11-17-14-8-21(6-5-13(14)16(20)22)25(23,24)15-9-19(10-18-15)7-12(2)3/h9-12H,4-8H2,1-3H3
InChIKeyBIHBPDSPXRXQFJ-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.86
Rot. Bonds5

About 3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 128999601) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID128999601
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(S(=O)(=O)c1cn(CC(C)C)cn1)C2
InChIInChI=1S/C16H23N5O3S/c1-4-20-11-17-14-8-21(6-5-13(14)16(20)22)25(23,24)15-9-19(10-18-15)7-12(2)3/h9-12H,4-8H2,1-3H3
InChIKeyBIHBPDSPXRXQFJ-UHFFFAOYSA-N
XLogP0.86
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 128999601) is 3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CCn1cnc2c(c1=O)CCN(S(=O)(=O)c1cn(CC(C)C)cn1)C2.
What is the InChIKey of 3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is BIHBPDSPXRXQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-4-20-11-17-14-8-21(6-5-13(14)16(20)22)25(23,24)15-9-19(10-18-15)7-12(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 365.46 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 128999601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).