1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone

C21H22F3N5O2 — CID 158905477

IUPAC1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone
SMILESCc1cnc2c(C(=O)Cc3cnccc3N3C[C@@H](N)C[C@@H](C(F)(F)F)C3)c(N)oc2c1
InChIInChI=1S/C21H22F3N5O2/c1-11-4-17-19(28-7-11)18(20(26)31-17)16(30)5-12-8-27-3-2-15(12)29-9-13(21(22,23)24)6-14(25)10-29/h2-4,7-8,13-14H,5-6,9-10,25-26H2,1H3/t13-,14+/m1/s1
InChIKeyJFZKPSPEMVCUHF-KGLIPLIRSA-N
MW433.43 g/mol
LogP3.25
Rot. Bonds4

About 1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone

1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 158905477) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID158905477
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC Name1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone
SMILESCc1cnc2c(C(=O)Cc3cnccc3N3C[C@@H](N)C[C@@H](C(F)(F)F)C3)c(N)oc2c1
InChIInChI=1S/C21H22F3N5O2/c1-11-4-17-19(28-7-11)18(20(26)31-17)16(30)5-12-8-27-3-2-15(12)29-9-13(21(22,23)24)6-14(25)10-29/h2-4,7-8,13-14H,5-6,9-10,25-26H2,1H3/t13-,14+/m1/s1
InChIKeyJFZKPSPEMVCUHF-KGLIPLIRSA-N
XLogP3.25
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

1-(2-amino-6-cyclobutylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone
CID 147762585
1-[2-amino-6-[(3-methoxypyrrolidin-1-yl)methyl]furo[3,2-b]pyridin-3-yl]-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone
CID 160548676
1-[2-amino-6-(3-morpholin-4-ylpropyl)furo[3,2-b]pyridin-3-yl]-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone
CID 158436872
1-[2-amino-6-(difluoromethoxy)furo[3,2-b]pyridin-3-yl]-2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]ethanone
CID 149305656
1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 159405423
2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone
CID 147438497
2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-4,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone
CID 157263192
1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone
CID 159389175
tert-butyl 2-[(3R,5R)-1-[3-[2-[6-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridin-3-yl]-2-oxoethyl]-4-pyridinyl]-5-methylpiperidin-3-yl]acetate
CID 158083336
2-amino-N-[(1E,3E)-3-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-1-(methylideneamino)penta-1,3-dien-2-yl]-6-chlorofuro[3,2-b]pyridine-3-carboxamide
CID 126512596
(3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine
CID 129241267
1-[5-amino-2-(2-fluorophenyl)pyrimidin-4-yl]-2-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-3-pyridinyl]ethanone;methane
CID 159097946

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone (CID 158905477) is 1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone is Cc1cnc2c(C(=O)Cc3cnccc3N3C[C@@H](N)C[C@@H](C(F)(F)F)C3)c(N)oc2c1.
What is the InChIKey of 1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is JFZKPSPEMVCUHF-KGLIPLIRSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-11-4-17-19(28-7-11)18(20(26)31-17)16(30)5-12-8-27-3-2-15(12)29-9-13(21(22,23)24)6-14(25)10-29/h2-4,7-8,13-14H,5-6,9-10,25-26H2,1H3/t13-,14+/m1/s1.
What are the key properties of 1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone?
1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 433.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-methylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 158905477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).