(3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole

C23H21Cl2N3 — CID 86342742

IUPAC(3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole
SMILESCN1C[C@](C)(c2cn(C)cc2-c2c[nH]c3ccc(Cl)cc23)c2cc(Cl)ccc21
InChIInChI=1S/C23H21Cl2N3/c1-23(13-28(3)22-7-5-15(25)9-19(22)23)20-12-27(2)11-18(20)17-10-26-21-6-4-14(24)8-16(17)21/h4-12,26H,13H2,1-3H3/t23-/m0/s1
InChIKeyCMOISPAWONHXEH-QHCPKHFHSA-N
MW410.35 g/mol
LogP6.24
Rot. Bonds2

About (3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole

(3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole (PubChem CID 86342742) has the molecular formula C23H21Cl2N3 and a molecular weight of 410.35 g/mol. Its IUPAC name is (3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole.

Molecular Properties

Compound Name(3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole
PubChem CID86342742
Molecular FormulaC23H21Cl2N3
Molecular Weight410.35 g/mol
Exact Mass409.11
IUPAC Name(3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole
SMILESCN1C[C@](C)(c2cn(C)cc2-c2c[nH]c3ccc(Cl)cc23)c2cc(Cl)ccc21
InChIInChI=1S/C23H21Cl2N3/c1-23(13-28(3)22-7-5-15(25)9-19(22)23)20-12-27(2)11-18(20)17-10-26-21-6-4-14(24)8-16(17)21/h4-12,26H,13H2,1-3H3/t23-/m0/s1
InChIKeyCMOISPAWONHXEH-QHCPKHFHSA-N
XLogP6.24
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.35
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole?
The IUPAC name of (3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole (CID 86342742) is (3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole.
What is the SMILES notation for (3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole?
The canonical SMILES for (3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole is CN1C[C@](C)(c2cn(C)cc2-c2c[nH]c3ccc(Cl)cc23)c2cc(Cl)ccc21.
What is the InChIKey of (3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole?
The InChIKey is CMOISPAWONHXEH-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H21Cl2N3/c1-23(13-28(3)22-7-5-15(25)9-19(22)23)20-12-27(2)11-18(20)17-10-26-21-6-4-14(24)8-16(17)21/h4-12,26H,13H2,1-3H3/t23-/m0/s1.
What are the key properties of (3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole?
(3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole has a molecular weight of 410.35 g/mol, XLogP of 6.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1-methylpyrrol-3-yl]-1,3-dimethyl-2H-indole is sourced from PubChem (CID 86342742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).