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

C25H25FN2O4S2 — CID 123194909

IUPAC1-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
SMILESCN1CC=C(c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)CC1.O=S=O
InChIInChI=1S/C25H25FN2O2S.O2S/c1-28-10-7-18(8-11-28)24-15-21-25(31-24)23(6-9-27-21)30-22-5-4-17(14-20(22)26)13-19(29)12-16-2-3-16;1-3-2/h4-7,9,14-16H,2-3,8,10-13H2,1H3;
InChIKeyONGGAYKCEYEYBK-UHFFFAOYSA-N
MW500.62 g/mol
LogP5.19
Rot. Bonds7

About 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

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 (PubChem CID 123194909) has the molecular formula C25H25FN2O4S2 and a molecular weight of 500.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID123194909
Molecular FormulaC25H25FN2O4S2
Molecular Weight500.62 g/mol
Exact Mass500.12
IUPAC Name1-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
SMILESCN1CC=C(c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)CC1.O=S=O
InChIInChI=1S/C25H25FN2O2S.O2S/c1-28-10-7-18(8-11-28)24-15-21-25(31-24)23(6-9-27-21)30-22-5-4-17(14-20(22)26)13-19(29)12-16-2-3-16;1-3-2/h4-7,9,14-16H,2-3,8,10-13H2,1H3;
InChIKeyONGGAYKCEYEYBK-UHFFFAOYSA-N
XLogP5.19
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

1-cyclopropyl-3-[3-fluoro-4-[2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 158339736
1-cyclopropyl-3-[3-fluoro-4-[2-(4-methylpiperazine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474446
[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid
CID 66649055
1-cyclopropyl-3-[3-fluoro-4-(2-iodothieno[3,2-b]pyridin-7-yl)oxyphenyl]propan-2-one
CID 58474550
(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
N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylacetamide
CID 58474344
1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one
CID 58474495
1-[[5-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-2-pyridinyl]methyl]pyrrolidin-2-one
CID 58474465
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
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
N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide
CID 160974432

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CC=C(c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)CC1.O=S=O.
What is the InChIKey of 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?
The InChIKey is ONGGAYKCEYEYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2S.O2S/c1-28-10-7-18(8-11-28)24-15-21-25(31-24)23(6-9-27-21)30-22-5-4-17(14-20(22)26)13-19(29)12-16-2-3-16;1-3-2/h4-7,9,14-16H,2-3,8,10-13H2,1H3;.
What are the key properties of 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?
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 has a molecular weight of 500.62 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123194909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).