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

C24H26N4S — CID 148887386

IUPAC2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1cc(-c2[nH]c3ccc(-c4nc5c(s4)CNCC5)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C24H26N4S/c1-13(2)22-18-11-16(24-28-20-7-8-25-12-21(20)29-24)5-6-19(18)27-23(22)17-9-14(3)26-15(4)10-17/h5-6,9-11,13,25,27H,7-8,12H2,1-4H3
InChIKeyPEFXKKGOQAQLON-UHFFFAOYSA-N
MW402.57 g/mol
LogP5.74
Rot. Bonds3

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

2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 148887386) has the molecular formula C24H26N4S and a molecular weight of 402.57 g/mol. Its IUPAC name is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID148887386
Molecular FormulaC24H26N4S
Molecular Weight402.57 g/mol
Exact Mass402.19
IUPAC Name2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1cc(-c2[nH]c3ccc(-c4nc5c(s4)CNCC5)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C24H26N4S/c1-13(2)22-18-11-16(24-28-20-7-8-25-12-21(20)29-24)5-6-19(18)27-23(22)17-9-14(3)26-15(4)10-17/h5-6,9-11,13,25,27H,7-8,12H2,1-4H3
InChIKeyPEFXKKGOQAQLON-UHFFFAOYSA-N
XLogP5.74
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 148887386) is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Cc1cc(-c2[nH]c3ccc(-c4nc5c(s4)CNCC5)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]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is PEFXKKGOQAQLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4S/c1-13(2)22-18-11-16(24-28-20-7-8-25-12-21(20)29-24)5-6-19(18)27-23(22)17-9-14(3)26-15(4)10-17/h5-6,9-11,13,25,27H,7-8,12H2,1-4H3.
What are the key properties of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 402.57 g/mol, XLogP of 5.74, 3 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]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 148887386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).