1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine

C28H26F3N5OS — CID 162463339

IUPAC1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine
SMILESCN(c1ncnc2sc(CC(F)(F)F)cc12)C1CCC(NCc2ccc(-c3cnc4ccoc4c3)cc2)C1
InChIInChI=1S/C28H26F3N5OS/c1-36(26-23-12-22(13-28(29,30)31)38-27(23)35-16-34-26)21-7-6-20(11-21)32-14-17-2-4-18(5-3-17)19-10-25-24(33-15-19)8-9-37-25/h2-5,8-10,12,15-16,20-21,32H,6-7,11,13-14H2,1H3
InChIKeyLHUWMKCAUZSWEL-UHFFFAOYSA-N
MW537.61 g/mol
LogP6.75
Rot. Bonds7

About 1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine

1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine (PubChem CID 162463339) has the molecular formula C28H26F3N5OS and a molecular weight of 537.61 g/mol. Its IUPAC name is 1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine
PubChem CID162463339
Molecular FormulaC28H26F3N5OS
Molecular Weight537.61 g/mol
Exact Mass537.18
IUPAC Name1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine
SMILESCN(c1ncnc2sc(CC(F)(F)F)cc12)C1CCC(NCc2ccc(-c3cnc4ccoc4c3)cc2)C1
InChIInChI=1S/C28H26F3N5OS/c1-36(26-23-12-22(13-28(29,30)31)38-27(23)35-16-34-26)21-7-6-20(11-21)32-14-17-2-4-18(5-3-17)19-10-25-24(33-15-19)8-9-37-25/h2-5,8-10,12,15-16,20-21,32H,6-7,11,13-14H2,1H3
InChIKeyLHUWMKCAUZSWEL-UHFFFAOYSA-N
XLogP6.75
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.61
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine with MolForge

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Related Compounds

2-Amino-N-furo[3,2-b]pyridin-7-yl-5-(5-morpholin-4-ylmethyl-thiophen-2-yl)-nicotinamide
CID 71061239
(2S)-1-N-[7-[4-(aminomethyl)furan-2-yl]-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596664
US9670196, 1.5 4-(1-(5-(6-(furo[3,2-b]pyridin-5-ylamino)-4-methylpyridin-2-yl)thiazol-2-yl)-1-hydroxyethyl)benzoic acid
CID 122670169
US20250289799, Example 113
CID 176244155
2-[1-(3-Phenylfuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 18799673
2-[1-[3-[(Dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 18799725
6-Methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine
CID 23293798
2-[1-[3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23293874
6-Methylsulfanyl-2-[1-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine
CID 23293915
[4-Amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-methoxypyridin-2-yl)methanol
CID 45274832
2-[5-(Difluoromethyl)furan-2-yl]-6-[(3-methoxypyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 45274944
2-[1-[3-[(Dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 54084963

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine?
The IUPAC name of 1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine (CID 162463339) is 1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for 1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine?
The canonical SMILES for 1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine is CN(c1ncnc2sc(CC(F)(F)F)cc12)C1CCC(NCc2ccc(-c3cnc4ccoc4c3)cc2)C1.
What is the InChIKey of 1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine?
The InChIKey is LHUWMKCAUZSWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N5OS/c1-36(26-23-12-22(13-28(29,30)31)38-27(23)35-16-34-26)21-7-6-20(11-21)32-14-17-2-4-18(5-3-17)19-10-25-24(33-15-19)8-9-37-25/h2-5,8-10,12,15-16,20-21,32H,6-7,11,13-14H2,1H3.
What are the key properties of 1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine?
1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine has a molecular weight of 537.61 g/mol, XLogP of 6.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-furo[3,2-b]pyridin-6-ylphenyl)methyl]-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 162463339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).