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

C30H33N5S — CID 151649400

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CN(Cc4cnc(C)[nH]4)CC5)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C30H33N5S/c1-17(2)29-25-12-21(6-7-26(25)34-30(29)23-10-18(3)32-19(4)11-23)27-13-22-8-9-35(16-28(22)36-27)15-24-14-31-20(5)33-24/h6-7,10-14,17,34H,8-9,15-16H2,1-5H3,(H,31,33)
InChIKeyQUEVAXKRBQFJTB-UHFFFAOYSA-N
MW495.70 g/mol
LogP7.29
Rot. Bonds5

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

2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 151649400) has the molecular formula C30H33N5S and a molecular weight of 495.70 g/mol. Its IUPAC name is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID151649400
Molecular FormulaC30H33N5S
Molecular Weight495.70 g/mol
Exact Mass495.25
IUPAC Name2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CN(Cc4cnc(C)[nH]4)CC5)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C30H33N5S/c1-17(2)29-25-12-21(6-7-26(25)34-30(29)23-10-18(3)32-19(4)11-23)27-13-22-8-9-35(16-28(22)36-27)15-24-14-31-20(5)33-24/h6-7,10-14,17,34H,8-9,15-16H2,1-5H3,(H,31,33)
InChIKeyQUEVAXKRBQFJTB-UHFFFAOYSA-N
XLogP7.29
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.70
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 151649400) is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is Cc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CN(Cc4cnc(C)[nH]4)CC5)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is QUEVAXKRBQFJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5S/c1-17(2)29-25-12-21(6-7-26(25)34-30(29)23-10-18(3)32-19(4)11-23)27-13-22-8-9-35(16-28(22)36-27)15-24-14-31-20(5)33-24/h6-7,10-14,17,34H,8-9,15-16H2,1-5H3,(H,31,33).
What are the key properties of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 495.70 g/mol, XLogP of 7.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 151649400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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