7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine

C24H24N4 — CID 164960905

IUPAC7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine
SMILESCc1[nH]c(-c2cccc3c(N)c[nH]c23)c(C(C)C)c1-c1cccc2[nH]ccc12
InChIInChI=1S/C24H24N4/c1-13(2)21-22(16-6-5-9-20-15(16)10-11-26-20)14(3)28-24(21)18-8-4-7-17-19(25)12-27-23(17)18/h4-13,26-28H,25H2,1-3H3
InChIKeyGNRPLTSHAJMHCT-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.33
Rot. Bonds3

About 7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine

7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine (PubChem CID 164960905) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine.

Molecular Properties

Compound Name7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine
PubChem CID164960905
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine
SMILESCc1[nH]c(-c2cccc3c(N)c[nH]c23)c(C(C)C)c1-c1cccc2[nH]ccc12
InChIInChI=1S/C24H24N4/c1-13(2)21-22(16-6-5-9-20-15(16)10-11-26-20)14(3)28-24(21)18-8-4-7-17-19(25)12-27-23(17)18/h4-13,26-28H,25H2,1-3H3
InChIKeyGNRPLTSHAJMHCT-UHFFFAOYSA-N
XLogP6.33
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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Related Compounds

5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 164948500
4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 164947030
5-(1-aminoindol-4-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350248
2-[5-(6-fluoro-1H-indol-4-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]acetic acid
CID 146350375
3-(2-carbamoyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350437
3-(5-chloro-1H-indol-4-yl)-5-(3-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350216
1H-indol-4-amine;hydrochloride
CID 22461572
5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one
CID 98773093
5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-(2-sulfamoyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 146350258
6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole
CID 164984487
ethane;4-(3-propan-2-ylphenyl)-1H-indole
CID 156726959
5-methyl-4-propan-2-yl-1H-indole
CID 23058098

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine?
The IUPAC name of 7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine (CID 164960905) is 7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine.
What is the SMILES notation for 7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine?
The canonical SMILES for 7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine is Cc1[nH]c(-c2cccc3c(N)c[nH]c23)c(C(C)C)c1-c1cccc2[nH]ccc12.
What is the InChIKey of 7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine?
The InChIKey is GNRPLTSHAJMHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-13(2)21-22(16-6-5-9-20-15(16)10-11-26-20)14(3)28-24(21)18-8-4-7-17-19(25)12-27-23(17)18/h4-13,26-28H,25H2,1-3H3.
What are the key properties of 7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine?
7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine has a molecular weight of 368.48 g/mol, XLogP of 6.33, 3 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1H-indol-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indol-3-amine is sourced from PubChem (CID 164960905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).