4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole

C24H23N5OS — CID 166634094

IUPAC4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
SMILESCc1ccnc2nc(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)[nH]c12
InChIInChI=1S/C24H23N5OS/c1-15-6-9-25-23-22(15)27-21(28-23)13-29-10-7-16(8-11-29)24-26-18(14-31-24)20-12-17-4-2-3-5-19(17)30-20/h2-6,9,12,14,16H,7-8,10-11,13H2,1H3,(H,25,27,28)
InChIKeyZLIXBXNTHXVZDK-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.52
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole

4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole (PubChem CID 166634094) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
PubChem CID166634094
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
SMILESCc1ccnc2nc(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)[nH]c12
InChIInChI=1S/C24H23N5OS/c1-15-6-9-25-23-22(15)27-21(28-23)13-29-10-7-16(8-11-29)24-26-18(14-31-24)20-12-17-4-2-3-5-19(17)30-20/h2-6,9,12,14,16H,7-8,10-11,13H2,1H3,(H,25,27,28)
InChIKeyZLIXBXNTHXVZDK-UHFFFAOYSA-N
XLogP5.52
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole (CID 166634094) is 4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole is Cc1ccnc2nc(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)[nH]c12.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The InChIKey is ZLIXBXNTHXVZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-15-6-9-25-23-22(15)27-21(28-23)13-29-10-7-16(8-11-29)24-26-18(14-31-24)20-12-17-4-2-3-5-19(17)30-20/h2-6,9,12,14,16H,7-8,10-11,13H2,1H3,(H,25,27,28).
What are the key properties of 4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole has a molecular weight of 429.55 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 166634094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).