N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

C20H23F3N4O3S — CID 146452892

IUPACN-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC4(CC3)CN(C(C)C)C(=O)O4)nc12
InChIInChI=1S/C20H23F3N4O3S/c1-11(2)27-10-19(30-18(27)29)4-6-26(7-5-19)14-8-13(20(21,22)23)16-15(25-14)12(9-31-16)17(28)24-3/h8-9,11H,4-7,10H2,1-3H3,(H,24,28)
InChIKeyOTEGCCLHAPSPOE-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.87
Rot. Bonds3

About N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 146452892) has the molecular formula C20H23F3N4O3S and a molecular weight of 456.49 g/mol. Its IUPAC name is N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
PubChem CID146452892
Molecular FormulaC20H23F3N4O3S
Molecular Weight456.49 g/mol
Exact Mass456.14
IUPAC NameN-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC4(CC3)CN(C(C)C)C(=O)O4)nc12
InChIInChI=1S/C20H23F3N4O3S/c1-11(2)27-10-19(30-18(27)29)4-6-26(7-5-19)14-8-13(20(21,22)23)16-15(25-14)12(9-31-16)17(28)24-3/h8-9,11H,4-7,10H2,1-3H3,(H,24,28)
InChIKeyOTEGCCLHAPSPOE-UHFFFAOYSA-N
XLogP3.87
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide with MolForge

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Related Compounds

5-(4-hydroxypiperidin-1-yl)-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
CID 146452749
tert-butyl 7-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 150871648
N-methyl-5-[4-[2-methyl-1-oxo-1-(propan-2-ylamino)propan-2-yl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
CID 146453077
2-[4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazin-1-yl]acetic acid
CID 146453277
5-[(3S)-3-fluoro-4-oxopiperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
CID 162616547
cyclopropylmethyl 7-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 146453240
[2,2-dimethyl-4-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazin-1-yl] 3-methylbutanoate
CID 158496474
N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
CID 146452924
[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] N-[(1R)-1-cyclopropylethyl]carbamate
CID 150254709
1-cyclopropylethyl 6-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 146453423
[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate
CID 146452806
cyclopropyl N-[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl]carbamate
CID 152733271

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (CID 146452892) is N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC4(CC3)CN(C(C)C)C(=O)O4)nc12.
What is the InChIKey of N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is OTEGCCLHAPSPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3S/c1-11(2)27-10-19(30-18(27)29)4-6-26(7-5-19)14-8-13(20(21,22)23)16-15(25-14)12(9-31-16)17(28)24-3/h8-9,11H,4-7,10H2,1-3H3,(H,24,28).
What are the key properties of N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 456.49 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-oxo-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 146452892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).