1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one

C23H22N4O2S — CID 169164101

IUPAC1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCc2[nH]cnc2[C@H]1c1cc2cccc(C3CC3)c2o1
InChIInChI=1S/C23H22N4O2S/c28-20(7-6-19-24-9-11-30-19)27-10-8-17-21(26-13-25-17)22(27)18-12-15-2-1-3-16(14-4-5-14)23(15)29-18/h1-3,9,11-14,22H,4-8,10H2,(H,25,26)/t22-/m1/s1
InChIKeyTVOQXSPQAZMBRZ-JOCHJYFZSA-N
MW418.52 g/mol
LogP4.60
Rot. Bonds5

About 1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one

1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 169164101) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID169164101
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCc2[nH]cnc2[C@H]1c1cc2cccc(C3CC3)c2o1
InChIInChI=1S/C23H22N4O2S/c28-20(7-6-19-24-9-11-30-19)27-10-8-17-21(26-13-25-17)22(27)18-12-15-2-1-3-16(14-4-5-14)23(15)29-18/h1-3,9,11-14,22H,4-8,10H2,(H,25,26)/t22-/m1/s1
InChIKeyTVOQXSPQAZMBRZ-JOCHJYFZSA-N
XLogP4.60
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one with MolForge

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Related Compounds

1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 169163614
1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 169167155
3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 169167419
(4R)-4-(1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 174058699
1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one
CID 169164484
2-cyclopropyl-2,2-difluoro-1-[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 169163627
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 177297466
1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,4-dimethylpentan-1-one
CID 169164212
[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3,4-thiadiazol-2-yl)methanone
CID 177297672
[(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
CID 169164516
[(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 169163741
[(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 177297367

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one (CID 169164101) is 1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nccs1)N1CCc2[nH]cnc2[C@H]1c1cc2cccc(C3CC3)c2o1.
What is the InChIKey of 1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is TVOQXSPQAZMBRZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22N4O2S/c28-20(7-6-19-24-9-11-30-19)27-10-8-17-21(26-13-25-17)22(27)18-12-15-2-1-3-16(14-4-5-14)23(15)29-18/h1-3,9,11-14,22H,4-8,10H2,(H,25,26)/t22-/m1/s1.
What are the key properties of 1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 418.52 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 169164101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).