(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

C30H28N4O4 — CID 42536782

IUPAC(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
SMILESCOc1ccc([C@@H]2c3c(-c4cccc(OC)c4)n[nH]c3C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C30H28N4O4/c1-36-21-9-7-18(8-10-21)29-26-27(19-5-4-6-22(15-19)37-2)32-33-28(26)30(35)34(29)14-13-20-17-31-25-12-11-23(38-3)16-24(20)25/h4-12,15-17,29,31H,13-14H2,1-3H3,(H,32,33)/t29-/m1/s1
InChIKeyHVXBPMDPPGWZFH-GDLZYMKVSA-N
MW508.58 g/mol
LogP5.37
Rot. Bonds8

About (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

(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 (PubChem CID 42536782) has the molecular formula C30H28N4O4 and a molecular weight of 508.58 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID42536782
Molecular FormulaC30H28N4O4
Molecular Weight508.58 g/mol
Exact Mass508.21
IUPAC Name(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
SMILESCOc1ccc([C@@H]2c3c(-c4cccc(OC)c4)n[nH]c3C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C30H28N4O4/c1-36-21-9-7-18(8-10-21)29-26-27(19-5-4-6-22(15-19)37-2)32-33-28(26)30(35)34(29)14-13-20-17-31-25-12-11-23(38-3)16-24(20)25/h4-12,15-17,29,31H,13-14H2,1-3H3,(H,32,33)/t29-/m1/s1
InChIKeyHVXBPMDPPGWZFH-GDLZYMKVSA-N
XLogP5.37
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
(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
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
(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-hydroxyphenyl)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42649301
4-(2-fluorophenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 42648412
(2S)-3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 40713736
4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858916
(4R)-4-(3-hydroxyphenyl)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42535538
3,4-bis(4-chlorophenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857731
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3-(3-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51426463
5-butyl-4-(3-ethoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858691

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc([C@@H]2c3c(-c4cccc(OC)c4)n[nH]c3C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1.
What is the InChIKey of (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?
The InChIKey is HVXBPMDPPGWZFH-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H28N4O4/c1-36-21-9-7-18(8-10-21)29-26-27(19-5-4-6-22(15-19)37-2)32-33-28(26)30(35)34(29)14-13-20-17-31-25-12-11-23(38-3)16-24(20)25/h4-12,15-17,29,31H,13-14H2,1-3H3,(H,32,33)/t29-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 508.58 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 42536782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).