4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one

C25H31N7O4 — CID 138653270

IUPAC4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
SMILESCCc1nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)nc2c1N(CCOC)C(=O)C1CC(O)CN21
InChIInChI=1S/C25H31N7O4/c1-5-18-22-23(32-13-17(33)11-20(32)24(34)31(22)8-9-35-3)29-25(28-18)27-16-6-7-19(21(10-16)36-4)30-12-15(2)26-14-30/h6-7,10,12,14,17,20,33H,5,8-9,11,13H2,1-4H3,(H,27,28,29)
InChIKeyZMZNTQGWIXDXRZ-UHFFFAOYSA-N
MW493.57 g/mol
LogP2.22
Rot. Bonds8

About 4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one

4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one (PubChem CID 138653270) has the molecular formula C25H31N7O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is 4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one.

Molecular Properties

Compound Name4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
PubChem CID138653270
Molecular FormulaC25H31N7O4
Molecular Weight493.57 g/mol
Exact Mass493.24
IUPAC Name4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
SMILESCCc1nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)nc2c1N(CCOC)C(=O)C1CC(O)CN21
InChIInChI=1S/C25H31N7O4/c1-5-18-22-23(32-13-17(33)11-20(32)24(34)31(22)8-9-35-3)29-25(28-18)27-16-6-7-19(21(10-16)36-4)30-12-15(2)26-14-30/h6-7,10,12,14,17,20,33H,5,8-9,11,13H2,1-4H3,(H,27,28,29)
InChIKeyZMZNTQGWIXDXRZ-UHFFFAOYSA-N
XLogP2.22
TPSA117.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one with MolForge

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Related Compounds

(6aR)-4-ethyl-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-5-methyl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
CID 138652397
4-ethyl-2-[3-ethyl-4-(4-methylimidazol-1-yl)anilino]-5-methyl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
CID 138652354
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-6-methylidene-4-(2-methylpropyl)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-2-amine
CID 118011307
4-ethyl-7-(4-fluorophenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydro-5H-pyrimido[4,5-e]indolizin-6-one
CID 159509857
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123144528
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
14-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2,10-dimethyl-4,7-dioxa-2,10,13,15-tetrazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-9-one
CID 123926016
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-6-methylidene-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-2-amine
CID 118011296
3-[[4-methoxy-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1,3,5-triazin-2-yl]-methylamino]propane-1,2-diol
CID 59278673
4-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 59333801
5-(4-fluorocyclohexa-1,3-dien-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methyl-1,2,4-triazol-3-amine
CID 90346636

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The IUPAC name of 4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one (CID 138653270) is 4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one.
What is the SMILES notation for 4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The canonical SMILES for 4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one is CCc1nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)nc2c1N(CCOC)C(=O)C1CC(O)CN21.
What is the InChIKey of 4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The InChIKey is ZMZNTQGWIXDXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O4/c1-5-18-22-23(32-13-17(33)11-20(32)24(34)31(22)8-9-35-3)29-25(28-18)27-16-6-7-19(21(10-16)36-4)30-12-15(2)26-14-30/h6-7,10,12,14,17,20,33H,5,8-9,11,13H2,1-4H3,(H,27,28,29).
What are the key properties of 4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one has a molecular weight of 493.57 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-hydroxy-5-(2-methoxyethyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one is sourced from PubChem (CID 138653270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).