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

C24H25N3S — CID 154640017

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CNCC5)cc3c2C(C)C)ccn1
InChIInChI=1S/C24H25N3S/c1-14(2)23-19-11-16(21-12-17-6-8-25-13-22(17)28-21)4-5-20(19)27-24(23)18-7-9-26-15(3)10-18/h4-5,7,9-12,14,25,27H,6,8,13H2,1-3H3
InChIKeyUNVNPPPZPURRII-UHFFFAOYSA-N
MW387.55 g/mol
LogP6.04
Rot. Bonds3

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

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 154640017) has the molecular formula C24H25N3S and a molecular weight of 387.55 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID154640017
Molecular FormulaC24H25N3S
Molecular Weight387.55 g/mol
Exact Mass387.18
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CNCC5)cc3c2C(C)C)ccn1
InChIInChI=1S/C24H25N3S/c1-14(2)23-19-11-16(21-12-17-6-8-25-13-22(17)28-21)4-5-20(19)27-24(23)18-7-9-26-15(3)10-18/h4-5,7,9-12,14,25,27H,6,8,13H2,1-3H3
InChIKeyUNVNPPPZPURRII-UHFFFAOYSA-N
XLogP6.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 154640017) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is Cc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CNCC5)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is UNVNPPPZPURRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3S/c1-14(2)23-19-11-16(21-12-17-6-8-25-13-22(17)28-21)4-5-20(19)27-24(23)18-7-9-26-15(3)10-18/h4-5,7,9-12,14,25,27H,6,8,13H2,1-3H3.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 387.55 g/mol, XLogP of 6.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 154640017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).