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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Related Compounds

2-((1-methyl-1H-imidazol-4-yl)sulfonyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632463
5-fluoro-2-{4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazin-1-yl}-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 154830766
6-cyclopropyl-5-fluoro-2-(4-{[1-(propan-2-yl)-1H-imidazol-4-yl]sulfonyl}piperazin-1-yl)-3,4-dihydropyrimidin-4-one
CID 154830794
N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide
CID 20600997
8-chloro-2-((1,2-dimethyl-1H-imidazol-4-yl)sulfonyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632536
1,2-Dimethyl-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one
CID 97392156
7-(1-Methylimidazol-4-yl)sulfonyl-1-prop-2-enyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466816
5-methyl-3-[(1-{[1-(propan-2-yl)-1H-imidazol-4-yl]sulfonyl}piperidin-4-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 126940680
5,6-dimethyl-3-({1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126941142
5,6-dimethyl-3-[(1-{[1-(propan-2-yl)-1H-imidazol-4-yl]sulfonyl}piperidin-4-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 126941143
3-({1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}methyl)-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 126941146
5,6-dimethyl-3-[(1-{[1-methyl-2-(propan-2-yl)-1H-imidazol-4-yl]sulfonyl}piperidin-4-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 126941147

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).