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

C25H28N4S — CID 151023895

IUPAC5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4cnc(C5CCNCC5)s4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H28N4S/c1-15(2)23-20-13-18(22-14-28-25(30-22)17-6-9-26-10-7-17)4-5-21(20)29-24(23)19-8-11-27-16(3)12-19/h4-5,8,11-15,17,26,29H,6-7,9-10H2,1-3H3
InChIKeyLYQKRZAQFWTIEY-UHFFFAOYSA-N
MW416.59 g/mol
LogP6.25
Rot. Bonds4

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

5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole (PubChem CID 151023895) has the molecular formula C25H28N4S and a molecular weight of 416.59 g/mol. Its IUPAC name is 5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole
PubChem CID151023895
Molecular FormulaC25H28N4S
Molecular Weight416.59 g/mol
Exact Mass416.20
IUPAC Name5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4cnc(C5CCNCC5)s4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H28N4S/c1-15(2)23-20-13-18(22-14-28-25(30-22)17-6-9-26-10-7-17)4-5-21(20)29-24(23)19-8-11-27-16(3)12-19/h4-5,8,11-15,17,26,29H,6-7,9-10H2,1-3H3
InChIKeyLYQKRZAQFWTIEY-UHFFFAOYSA-N
XLogP6.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.59
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole (CID 151023895) is 5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole is Cc1cc(-c2[nH]c3ccc(-c4cnc(C5CCNCC5)s4)cc3c2C(C)C)ccn1.
What is the InChIKey of 5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is LYQKRZAQFWTIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4S/c1-15(2)23-20-13-18(22-14-28-25(30-22)17-6-9-26-10-7-17)4-5-21(20)29-24(23)19-8-11-27-16(3)12-19/h4-5,8,11-15,17,26,29H,6-7,9-10H2,1-3H3.
What are the key properties of 5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole?
5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 416.59 g/mol, XLogP of 6.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 151023895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).