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

C30H29F2N3O3S — CID 58477390

IUPACN-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide
SMILESCCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)c(F)c4F)c3s2)nc1)C(C)=O
InChIInChI=1S/C30H29F2N3O3S/c1-3-12-35(18(2)36)17-20-6-8-23(34-16-20)27-15-24-30(39-27)26(10-11-33-24)38-25-9-7-21(28(31)29(25)32)14-22(37)13-19-4-5-19/h6-11,15-16,19H,3-5,12-14,17H2,1-2H3
InChIKeyNVPUWGSIKFUIGB-UHFFFAOYSA-N
MW549.64 g/mol
LogP7.10
Rot. Bonds11

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

N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide (PubChem CID 58477390) has the molecular formula C30H29F2N3O3S and a molecular weight of 549.64 g/mol. Its IUPAC name is N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide
PubChem CID58477390
Molecular FormulaC30H29F2N3O3S
Molecular Weight549.64 g/mol
Exact Mass549.19
IUPAC NameN-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide
SMILESCCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)c(F)c4F)c3s2)nc1)C(C)=O
InChIInChI=1S/C30H29F2N3O3S/c1-3-12-35(18(2)36)17-20-6-8-23(34-16-20)27-15-24-30(39-27)26(10-11-33-24)38-25-9-7-21(28(31)29(25)32)14-22(37)13-19-4-5-19/h6-11,15-16,19H,3-5,12-14,17H2,1-2H3
InChIKeyNVPUWGSIKFUIGB-UHFFFAOYSA-N
XLogP7.10
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.64
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-[[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
1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474489
carbon dioxide;1-cyclopropyl-3-[4-[2-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-2,3-difluorophenyl]propan-2-one
CID 123944948
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
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
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
1-[4-[2-[5-[(5-aminopentylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-2,3-difluorophenyl]-3-cyclopropylpropan-2-one
CID 123594521
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-[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-[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

Frequently Asked Questions

What is the IUPAC name of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide?
The IUPAC name of 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) is N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide.
What is the SMILES notation for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide?
The canonical SMILES for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide is CCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)c(F)c4F)c3s2)nc1)C(C)=O.
What is the InChIKey of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide?
The InChIKey is NVPUWGSIKFUIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N3O3S/c1-3-12-35(18(2)36)17-20-6-8-23(34-16-20)27-15-24-30(39-27)26(10-11-33-24)38-25-9-7-21(28(31)29(25)32)14-22(37)13-19-4-5-19/h6-11,15-16,19H,3-5,12-14,17H2,1-2H3.
What are the key properties of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide?
N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide has a molecular weight of 549.64 g/mol, XLogP of 7.10, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide is sourced from PubChem (CID 58477390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).