4-(1-benzofuran-2-yl)-2-[1-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole

C23H20FN5OS — CID 166633628

IUPAC4-(1-benzofuran-2-yl)-2-[1-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
SMILESFc1cnc2nc(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)[nH]c2c1
InChIInChI=1S/C23H20FN5OS/c24-16-10-17-22(25-11-16)28-21(26-17)12-29-7-5-14(6-8-29)23-27-18(13-31-23)20-9-15-3-1-2-4-19(15)30-20/h1-4,9-11,13-14H,5-8,12H2,(H,25,26,28)
InChIKeyDINXKWNHPPCFHR-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.35
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-2-[1-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole

4-(1-benzofuran-2-yl)-2-[1-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole (PubChem CID 166633628) has the molecular formula C23H20FN5OS and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-[1-[(6-fluoro-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-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
PubChem CID166633628
Molecular FormulaC23H20FN5OS
Molecular Weight433.51 g/mol
Exact Mass433.14
IUPAC Name4-(1-benzofuran-2-yl)-2-[1-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
SMILESFc1cnc2nc(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)[nH]c2c1
InChIInChI=1S/C23H20FN5OS/c24-16-10-17-22(25-11-16)28-21(26-17)12-29-7-5-14(6-8-29)23-27-18(13-31-23)20-9-15-3-1-2-4-19(15)30-20/h1-4,9-11,13-14H,5-8,12H2,(H,25,26,28)
InChIKeyDINXKWNHPPCFHR-UHFFFAOYSA-N
XLogP5.35
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.35
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-[(6-fluoro-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-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole (CID 166633628) is 4-(1-benzofuran-2-yl)-2-[1-[(6-fluoro-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-[(6-fluoro-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-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole is Fc1cnc2nc(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)[nH]c2c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-[1-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The InChIKey is DINXKWNHPPCFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5OS/c24-16-10-17-22(25-11-16)28-21(26-17)12-29-7-5-14(6-8-29)23-27-18(13-31-23)20-9-15-3-1-2-4-19(15)30-20/h1-4,9-11,13-14H,5-8,12H2,(H,25,26,28).
What are the key properties of 4-(1-benzofuran-2-yl)-2-[1-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-[1-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole has a molecular weight of 433.51 g/mol, XLogP of 5.35, 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-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 166633628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).