[(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

C24H18FN5O2S — CID 169163616

IUPAC[(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1c([C@@H]2c3nc[nH]c3CCN2C(=O)c2cnc(-c3ccccn3)s2)oc2ccc(F)cc12
InChIInChI=1S/C24H18FN5O2S/c1-13-15-10-14(25)5-6-18(15)32-22(13)21-20-16(28-12-29-20)7-9-30(21)24(31)19-11-27-23(33-19)17-4-2-3-8-26-17/h2-6,8,10-12,21H,7,9H2,1H3,(H,28,29)/t21-/m0/s1
InChIKeyOZQYDBSQZPVHRW-NRFANRHFSA-N
MW459.51 g/mol
LogP4.91
Rot. Bonds3

About [(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

[(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 169163616) has the molecular formula C24H18FN5O2S and a molecular weight of 459.51 g/mol. Its IUPAC name is [(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID169163616
Molecular FormulaC24H18FN5O2S
Molecular Weight459.51 g/mol
Exact Mass459.12
IUPAC Name[(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1c([C@@H]2c3nc[nH]c3CCN2C(=O)c2cnc(-c3ccccn3)s2)oc2ccc(F)cc12
InChIInChI=1S/C24H18FN5O2S/c1-13-15-10-14(25)5-6-18(15)32-22(13)21-20-16(28-12-29-20)7-9-30(21)24(31)19-11-27-23(33-19)17-4-2-3-8-26-17/h2-6,8,10-12,21H,7,9H2,1H3,(H,28,29)/t21-/m0/s1
InChIKeyOZQYDBSQZPVHRW-NRFANRHFSA-N
XLogP4.91
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (CID 169163616) is [(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is Cc1c([C@@H]2c3nc[nH]c3CCN2C(=O)c2cnc(-c3ccccn3)s2)oc2ccc(F)cc12.
What is the InChIKey of [(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is OZQYDBSQZPVHRW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H18FN5O2S/c1-13-15-10-14(25)5-6-18(15)32-22(13)21-20-16(28-12-29-20)7-9-30(21)24(31)19-11-27-23(33-19)17-4-2-3-8-26-17/h2-6,8,10-12,21H,7,9H2,1H3,(H,28,29)/t21-/m0/s1.
What are the key properties of [(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
[(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 459.51 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 169163616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).