2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole

C23H23N3 — CID 151187611

IUPAC2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(-c4cccnc4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C23H23N3/c1-14(2)22-20-12-17(18-6-5-9-24-13-18)7-8-21(20)26-23(22)19-10-15(3)25-16(4)11-19/h5-14,26H,1-4H3
InChIKeyNFQFEUPTVSOAGG-UHFFFAOYSA-N
MW341.46 g/mol
LogP6.03
Rot. Bonds3

About 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole

2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole (PubChem CID 151187611) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole
PubChem CID151187611
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(-c4cccnc4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C23H23N3/c1-14(2)22-20-12-17(18-6-5-9-24-13-18)7-8-21(20)26-23(22)19-10-15(3)25-16(4)11-19/h5-14,26H,1-4H3
InChIKeyNFQFEUPTVSOAGG-UHFFFAOYSA-N
XLogP6.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole (CID 151187611) is 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(-c4cccnc4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole?
The InChIKey is NFQFEUPTVSOAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-14(2)22-20-12-17(18-6-5-9-24-13-18)7-8-21(20)26-23(22)19-10-15(3)25-16(4)11-19/h5-14,26H,1-4H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole?
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole has a molecular weight of 341.46 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole is sourced from PubChem (CID 151187611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).