5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole

C26H29FN4S — CID 134329659

IUPAC5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5cncs5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C26H29FN4S/c1-16(2)25-22-11-19(18-6-8-31(9-7-18)14-20-12-28-15-32-20)4-5-24(22)30-26(25)21-10-17(3)29-13-23(21)27/h4-5,10-13,15-16,18,30H,6-9,14H2,1-3H3
InChIKeyDZUTXYQEYYHFHW-UHFFFAOYSA-N
MW448.61 g/mol
LogP6.64
Rot. Bonds5

About 5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole

5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 134329659) has the molecular formula C26H29FN4S and a molecular weight of 448.61 g/mol. Its IUPAC name is 5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID134329659
Molecular FormulaC26H29FN4S
Molecular Weight448.61 g/mol
Exact Mass448.21
IUPAC Name5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5cncs5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C26H29FN4S/c1-16(2)25-22-11-19(18-6-8-31(9-7-18)14-20-12-28-15-32-20)4-5-24(22)30-26(25)21-10-17(3)29-13-23(21)27/h4-5,10-13,15-16,18,30H,6-9,14H2,1-3H3
InChIKeyDZUTXYQEYYHFHW-UHFFFAOYSA-N
XLogP6.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 134329659) is 5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5cncs5)CC4)cc3c2C(C)C)c(F)cn1.
What is the InChIKey of 5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is DZUTXYQEYYHFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4S/c1-16(2)25-22-11-19(18-6-8-31(9-7-18)14-20-12-28-15-32-20)4-5-24(22)30-26(25)21-10-17(3)29-13-23(21)27/h4-5,10-13,15-16,18,30H,6-9,14H2,1-3H3.
What are the key properties of 5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole?
5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 448.61 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 134329659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).