1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one

C27H29FN2O3S — CID 58474495

IUPAC1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one
SMILESCCC1CCN(C(=O)c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)CC1
InChIInChI=1S/C27H29FN2O3S/c1-2-17-8-11-30(12-9-17)27(32)25-16-22-26(34-25)24(7-10-29-22)33-23-6-5-19(15-21(23)28)14-20(31)13-18-3-4-18/h5-7,10,15-18H,2-4,8-9,11-14H2,1H3
InChIKeyYTKDOXBYIGFBIQ-UHFFFAOYSA-N
MW480.61 g/mol
LogP6.40
Rot. Bonds8

About 1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one

1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one (PubChem CID 58474495) has the molecular formula C27H29FN2O3S and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one
PubChem CID58474495
Molecular FormulaC27H29FN2O3S
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Name1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one
SMILESCCC1CCN(C(=O)c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)CC1
InChIInChI=1S/C27H29FN2O3S/c1-2-17-8-11-30(12-9-17)27(32)25-16-22-26(34-25)24(7-10-29-22)33-23-6-5-19(15-21(23)28)14-20(31)13-18-3-4-18/h5-7,10,15-18H,2-4,8-9,11-14H2,1H3
InChIKeyYTKDOXBYIGFBIQ-UHFFFAOYSA-N
XLogP6.40
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[3-fluoro-4-[2-(4-methylpiperazine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474446
[1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]azetidin-3-yl] acetate
CID 58474710
1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 58474762
1-cyclopropyl-3-[3-fluoro-4-(2-iodothieno[3,2-b]pyridin-7-yl)oxyphenyl]propan-2-one
CID 58474550
1-cyclopropyl-3-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;sulfur dioxide
CID 123194909
1-cyclopropyl-3-[3-fluoro-4-[2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 158339736
cyclobutanol;1-cyclopropyl-3-[4-[2-(5-ethyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one
CID 123318324
[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 58474542
1-[4-[2-[5-[[[(2S)-butan-2-yl]amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylpropan-2-one
CID 58207650
1-cyclohexyl-5-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]pentane-2,4-dione
CID 146784906
1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[4-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperazin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474860
(3S)-1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methylpyrrolidin-2-one
CID 58474896

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one?
The IUPAC name of 1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one (CID 58474495) is 1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one?
The canonical SMILES for 1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one is CCC1CCN(C(=O)c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)CC1.
What is the InChIKey of 1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one?
The InChIKey is YTKDOXBYIGFBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O3S/c1-2-17-8-11-30(12-9-17)27(32)25-16-22-26(34-25)24(7-10-29-22)33-23-6-5-19(15-21(23)28)14-20(31)13-18-3-4-18/h5-7,10,15-18H,2-4,8-9,11-14H2,1H3.
What are the key properties of 1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one?
1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one has a molecular weight of 480.61 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one is sourced from PubChem (CID 58474495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).