3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole

C27H22N4O — CID 101381556

IUPAC3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole
SMILESCOc1cccc(-c2[nH]ncc2C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C27H22N4O/c1-32-18-8-6-7-17(13-18)27-23(16-30-31-27)26(21-14-28-24-11-4-2-9-19(21)24)22-15-29-25-12-5-3-10-20(22)25/h2-16,26,28-29H,1H3,(H,30,31)
InChIKeyGIOWRGJOAFXFHP-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.23
Rot. Bonds5

About 3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole

3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole (PubChem CID 101381556) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole
PubChem CID101381556
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole
SMILESCOc1cccc(-c2[nH]ncc2C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C27H22N4O/c1-32-18-8-6-7-17(13-18)27-23(16-30-31-27)26(21-14-28-24-11-4-2-9-19(21)24)22-15-29-25-12-5-3-10-20(22)25/h2-16,26,28-29H,1H3,(H,30,31)
InChIKeyGIOWRGJOAFXFHP-UHFFFAOYSA-N
XLogP6.23
TPSA69.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
CID 72701742
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 79487408
3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
CID 4200527
3-[benzenesulfonyl-(3-methoxyphenyl)methyl]-1H-indole
CID 134850362
3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole
CID 3705119
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 102170720
2-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4-oxobutanoic acid
CID 129234967
2-[[5-[4-[bis(1H-indol-3-yl)methyl]phenyl]-1,3,4-thiadiazol-2-yl]amino]-4-methoxyphenol
CID 138757279
[(1S)-2-(1H-indol-3-yl)-1-[6-(3-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]ethyl]azanium
CID 2036552
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559

Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole?
The IUPAC name of 3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole (CID 101381556) is 3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole?
The canonical SMILES for 3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole is COc1cccc(-c2[nH]ncc2C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole?
The InChIKey is GIOWRGJOAFXFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c1-32-18-8-6-7-17(13-18)27-23(16-30-31-27)26(21-14-28-24-11-4-2-9-19(21)24)22-15-29-25-12-5-3-10-20(22)25/h2-16,26,28-29H,1H3,(H,30,31).
What are the key properties of 3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole?
3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole has a molecular weight of 418.50 g/mol, XLogP of 6.23, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1H-indole is sourced from PubChem (CID 101381556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).