6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine

C25H27N3S — CID 151211829

IUPAC6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CN(C)CC5)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H27N3S/c1-15(2)24-20-12-17(22-13-18-8-10-28(4)14-23(18)29-22)5-6-21(20)27-25(24)19-7-9-26-16(3)11-19/h5-7,9,11-13,15,27H,8,10,14H2,1-4H3
InChIKeyNKLFBULHGHOSLZ-UHFFFAOYSA-N
MW401.58 g/mol
LogP6.38
Rot. Bonds3

About 6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine

6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 151211829) has the molecular formula C25H27N3S and a molecular weight of 401.58 g/mol. Its IUPAC name is 6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID151211829
Molecular FormulaC25H27N3S
Molecular Weight401.58 g/mol
Exact Mass401.19
IUPAC Name6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CN(C)CC5)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H27N3S/c1-15(2)24-20-12-17(22-13-18-8-10-28(4)14-23(18)29-22)5-6-21(20)27-25(24)19-7-9-26-16(3)11-19/h5-7,9,11-13,15,27H,8,10,14H2,1-4H3
InChIKeyNKLFBULHGHOSLZ-UHFFFAOYSA-N
XLogP6.38
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.58
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 151211829) is 6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is Cc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CN(C)CC5)cc3c2C(C)C)ccn1.
What is the InChIKey of 6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is NKLFBULHGHOSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3S/c1-15(2)24-20-12-17(22-13-18-8-10-28(4)14-23(18)29-22)5-6-21(20)27-25(24)19-7-9-26-16(3)11-19/h5-7,9,11-13,15,27H,8,10,14H2,1-4H3.
What are the key properties of 6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 401.58 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 151211829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).