5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine

C16H20F3N3OS — CID 162594039

IUPAC5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine
SMILESCOCc1cnc2sc(CC(F)(F)F)cc2c1NC1CCNCC1
InChIInChI=1S/C16H20F3N3OS/c1-23-9-10-8-21-15-13(6-12(24-15)7-16(17,18)19)14(10)22-11-2-4-20-5-3-11/h6,8,11,20H,2-5,7,9H2,1H3,(H,21,22)
InChIKeyHKDNMEWYMDLTRZ-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.71
Rot. Bonds5

About 5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine

5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine (PubChem CID 162594039) has the molecular formula C16H20F3N3OS and a molecular weight of 359.42 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine
PubChem CID162594039
Molecular FormulaC16H20F3N3OS
Molecular Weight359.42 g/mol
Exact Mass359.13
IUPAC Name5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine
SMILESCOCc1cnc2sc(CC(F)(F)F)cc2c1NC1CCNCC1
InChIInChI=1S/C16H20F3N3OS/c1-23-9-10-8-21-15-13(6-12(24-15)7-16(17,18)19)14(10)22-11-2-4-20-5-3-11/h6,8,11,20H,2-5,7,9H2,1H3,(H,21,22)
InChIKeyHKDNMEWYMDLTRZ-UHFFFAOYSA-N
XLogP3.71
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine with MolForge

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Related Compounds

Tert-butyl 4-(2-(2,2,2-trifluoroethyl)-5-(hydroxymethyl)thieno[2,3-b]pyridin-4-ylamino)piperidine-1-carboxylate
CID 90404321
Ethyl 4-(1-(tert-butoxycarbonyl)piperidin-4-ylamino)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridine-5-carboxylate
CID 90404427
N-[(3S,4S)-1-benzyl-3-phenylmethoxypiperidin-4-yl]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine
CID 90453221
5-[[4-[[5-(methoxymethyl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile
CID 90453301
[4-[(1-Benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol
CID 90453308
5-(methoxymethyl)-N-[1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine
CID 118591876
N-(1-benzyl-3-phenylmethoxypiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine
CID 123719021
[2-(6-Methoxy-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]thieno[2,3-b]pyridin-5-yl]methanol
CID 141278882
5-[[4-[[5-(3-cyclopentylpropoxymethyl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]methyl]-1H-indene-2-carbonitrile
CID 147126486
5-[[4-[[5-(2-cyclopentylethoxymethyl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]methyl]-1H-indene-2-carbonitrile
CID 159562197
5-[[4-[[5-(cyclopentylmethoxymethyl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]methyl]-1H-indene-2-carbonitrile
CID 161986092
13-(Methoxymethyl)-11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-6-amine
CID 16762131

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine?
The IUPAC name of 5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine (CID 162594039) is 5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine is COCc1cnc2sc(CC(F)(F)F)cc2c1NC1CCNCC1.
What is the InChIKey of 5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine?
The InChIKey is HKDNMEWYMDLTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3OS/c1-23-9-10-8-21-15-13(6-12(24-15)7-16(17,18)19)14(10)22-11-2-4-20-5-3-11/h6,8,11,20H,2-5,7,9H2,1H3,(H,21,22).
What are the key properties of 5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine?
5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine has a molecular weight of 359.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-piperidin-4-yl-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 162594039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).