N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide

C30H30FN3O4S — CID 58207765

IUPACN-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide
SMILESCCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(=O)CO
InChIInChI=1S/C30H30FN3O4S/c1-2-11-34(29(37)18-35)17-21-5-7-24(33-16-21)28-15-25-30(39-28)27(9-10-32-25)38-26-8-6-20(14-23(26)31)13-22(36)12-19-3-4-19/h5-10,14-16,19,35H,2-4,11-13,17-18H2,1H3
InChIKeyWNZQCDIUSNFKRD-UHFFFAOYSA-N
MW547.65 g/mol
LogP5.93
Rot. Bonds12

About N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide

N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide (PubChem CID 58207765) has the molecular formula C30H30FN3O4S and a molecular weight of 547.65 g/mol. Its IUPAC name is N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide.

Molecular Properties

Compound NameN-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide
PubChem CID58207765
Molecular FormulaC30H30FN3O4S
Molecular Weight547.65 g/mol
Exact Mass547.19
IUPAC NameN-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide
SMILESCCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(=O)CO
InChIInChI=1S/C30H30FN3O4S/c1-2-11-34(29(37)18-35)17-21-5-7-24(33-16-21)28-15-25-30(39-28)27(9-10-32-25)38-26-8-6-20(14-23(26)31)13-22(36)12-19-3-4-19/h5-10,14-16,19,35H,2-4,11-13,17-18H2,1H3
InChIKeyWNZQCDIUSNFKRD-UHFFFAOYSA-N
XLogP5.93
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.65
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide with MolForge

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Related Compounds

tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate
CID 158680276
ditert-butyl [2-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl-propylamino]-2-oxoethyl] phosphate
CID 58474820
N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide
CID 58477390
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
1-cyclopropyl-3-[3-fluoro-4-[2-[5-(hydroxymethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;thionyl dichloride
CID 123912145
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
tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate
CID 158860924
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
N-[[6-[7-[4-[3-(1-acetylazetidin-3-yl)-2-sulfanylidenepropyl]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide
CID 157360151
methyl 4-[3-fluoro-4-[2-[5-[[(2-methylpropan-2-yl)oxycarbonyl-propylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-oxobutanoate
CID 58207693
methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate
CID 58207792

Frequently Asked Questions

What is the IUPAC name of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide?
The IUPAC name of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide (CID 58207765) is N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide.
What is the SMILES notation for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide?
The canonical SMILES for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide is CCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(=O)CO.
What is the InChIKey of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide?
The InChIKey is WNZQCDIUSNFKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O4S/c1-2-11-34(29(37)18-35)17-21-5-7-24(33-16-21)28-15-25-30(39-28)27(9-10-32-25)38-26-8-6-20(14-23(26)31)13-22(36)12-19-3-4-19/h5-10,14-16,19,35H,2-4,11-13,17-18H2,1H3.
What are the key properties of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide?
N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide has a molecular weight of 547.65 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide is sourced from PubChem (CID 58207765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).