(4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C30H28N4O5 — CID 42536662

IUPAC(4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)c(OC)c2)N(CCc2c[nH]c4ccc(OC)cc24)C3=O)cc1
InChIInChI=1S/C30H28N4O5/c1-37-20-7-4-17(5-8-20)27-26-28(33-32-27)30(36)34(29(26)18-6-11-24(35)25(14-18)39-3)13-12-19-16-31-23-10-9-21(38-2)15-22(19)23/h4-11,14-16,29,31,35H,12-13H2,1-3H3,(H,32,33)/t29-/m0/s1
InChIKeyCDXBLKAUJUIPCR-LJAQVGFWSA-N
MW524.58 g/mol
LogP5.08
Rot. Bonds8

About (4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

(4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 42536662) has the molecular formula C30H28N4O5 and a molecular weight of 524.58 g/mol. Its IUPAC name is (4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name(4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID42536662
Molecular FormulaC30H28N4O5
Molecular Weight524.58 g/mol
Exact Mass524.21
IUPAC Name(4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)c(OC)c2)N(CCc2c[nH]c4ccc(OC)cc24)C3=O)cc1
InChIInChI=1S/C30H28N4O5/c1-37-20-7-4-17(5-8-20)27-26-28(33-32-27)30(36)34(29(26)18-6-11-24(35)25(14-18)39-3)13-12-19-16-31-23-10-9-21(38-2)15-22(19)23/h4-11,14-16,29,31,35H,12-13H2,1-3H3,(H,32,33)/t29-/m0/s1
InChIKeyCDXBLKAUJUIPCR-LJAQVGFWSA-N
XLogP5.08
TPSA112.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one with MolForge

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Related Compounds

(4R)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42536782
(4R)-4-(3-hydroxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51719636
4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858619
3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857652
4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-(3-methoxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858605
4-(3,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856461
3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 42653418
(2S)-3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 40713736
(4R)-4-(4-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 94860220
(4R)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 51718753
4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858916
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3-(3-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51426463

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of (4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 42536662) is (4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for (4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for (4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)c(OC)c2)N(CCc2c[nH]c4ccc(OC)cc24)C3=O)cc1.
What is the InChIKey of (4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is CDXBLKAUJUIPCR-LJAQVGFWSA-N. The full InChI is InChI=1S/C30H28N4O5/c1-37-20-7-4-17(5-8-20)27-26-28(33-32-27)30(36)34(29(26)18-6-11-24(35)25(14-18)39-3)13-12-19-16-31-23-10-9-21(38-2)15-22(19)23/h4-11,14-16,29,31,35H,12-13H2,1-3H3,(H,32,33)/t29-/m0/s1.
What are the key properties of (4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
(4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 524.58 g/mol, XLogP of 5.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 42536662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).