(4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C28H27N5O3 — CID 129097132

IUPAC(4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1C[C@H](C2c3ccccc3CCc3ccccc32)n2c(-n3ccnc3)nc(=O)c(O)c2C1=O
InChIInChI=1S/C28H27N5O3/c1-17(2)32-15-22(23-20-9-5-3-7-18(20)11-12-19-8-4-6-10-21(19)23)33-24(27(32)36)25(34)26(35)30-28(33)31-14-13-29-16-31/h3-10,13-14,16-17,22-23,34H,11-12,15H2,1-2H3/t22-/m1/s1
InChIKeyWIASWMMXRYSCOK-JOCHJYFZSA-N
MW481.56 g/mol
LogP3.47
Rot. Bonds3

About (4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

(4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 129097132) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is (4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name(4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID129097132
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name(4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1C[C@H](C2c3ccccc3CCc3ccccc32)n2c(-n3ccnc3)nc(=O)c(O)c2C1=O
InChIInChI=1S/C28H27N5O3/c1-17(2)32-15-22(23-20-9-5-3-7-18(20)11-12-19-8-4-6-10-21(19)23)33-24(27(32)36)25(34)26(35)30-28(33)31-14-13-29-16-31/h3-10,13-14,16-17,22-23,34H,11-12,15H2,1-2H3/t22-/m1/s1
InChIKeyWIASWMMXRYSCOK-JOCHJYFZSA-N
XLogP3.47
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione with MolForge

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Related Compounds

[(8S)-3,5-dioxo-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl] 2-methylpropanoate
CID 122532533
(4S)-9-hydroxy-8-methylidene-6-methylsulfinyl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidin-1-one
CID 129095970
9-hydroxy-2-propan-2-yl-4-(6,9,10,11-tetrahydrobenzo[c][1]benzothiepin-11-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 130434191
4-methyl-3,5-dimethylidene-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine
CID 154977662
(8S)-4-hydroxy-6-propyl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
CID 122532525
N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 95156658
4-benzhydryl-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 77298139
2-[9-hydroxy-1,8-dioxo-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]acetonitrile
CID 87412000
4-hydroxy-6-(2-hydroxyethyl)-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
CID 172970812
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide
CID 59170828
3-hydroxy-4-imidazol-1-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene
CID 22934143
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 18112957

Frequently Asked Questions

What is the IUPAC name of (4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of (4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 129097132) is (4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for (4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for (4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is CC(C)N1C[C@H](C2c3ccccc3CCc3ccccc32)n2c(-n3ccnc3)nc(=O)c(O)c2C1=O.
What is the InChIKey of (4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is WIASWMMXRYSCOK-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-17(2)32-15-22(23-20-9-5-3-7-18(20)11-12-19-8-4-6-10-21(19)23)33-24(27(32)36)25(34)26(35)30-28(33)31-14-13-29-16-31/h3-10,13-14,16-17,22-23,34H,11-12,15H2,1-2H3/t22-/m1/s1.
What are the key properties of (4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
(4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 481.56 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 129097132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).