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

C21H23F2N5O3 — CID 149305656

IUPAC1-[2-amino-6-(difluoromethoxy)furo[3,2-b]pyridin-3-yl]-2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]ethanone
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2CC(=O)c2c(N)oc3cc(OC(F)F)cnc23)C1
InChIInChI=1S/C21H23F2N5O3/c1-11-4-13(24)10-28(9-11)15-2-3-26-7-12(15)5-16(29)18-19-17(31-20(18)25)6-14(8-27-19)30-21(22)23/h2-3,6-8,11,13,21H,4-5,9-10,24-25H2,1H3/t11-,13+/m1/s1
InChIKeyXXPSFPYVVCDMJR-YPMHNXCESA-N
MW431.44 g/mol
LogP3.01
Rot. Bonds6

About 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

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 (PubChem CID 149305656) has the molecular formula C21H23F2N5O3 and a molecular weight of 431.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[2-amino-6-(difluoromethoxy)furo[3,2-b]pyridin-3-yl]-2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID149305656
Molecular FormulaC21H23F2N5O3
Molecular Weight431.44 g/mol
Exact Mass431.18
IUPAC Name1-[2-amino-6-(difluoromethoxy)furo[3,2-b]pyridin-3-yl]-2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]ethanone
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2CC(=O)c2c(N)oc3cc(OC(F)F)cnc23)C1
InChIInChI=1S/C21H23F2N5O3/c1-11-4-13(24)10-28(9-11)15-2-3-26-7-12(15)5-16(29)18-19-17(31-20(18)25)6-14(8-27-19)30-21(22)23/h2-3,6-8,11,13,21H,4-5,9-10,24-25H2,1H3/t11-,13+/m1/s1
InChIKeyXXPSFPYVVCDMJR-YPMHNXCESA-N
XLogP3.01
TPSA120.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
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
1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 159405423
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
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-(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-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
4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine
CID 145199464
4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one
CID 157144530
2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(2-fluorophenyl)thieno[3,2-b]pyridin-5-yl]ethanone
CID 157420372

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1C[C@H](N)CN(c2ccncc2CC(=O)c2c(N)oc3cc(OC(F)F)cnc23)C1.
What is the InChIKey of 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?
The InChIKey is XXPSFPYVVCDMJR-YPMHNXCESA-N. The full InChI is InChI=1S/C21H23F2N5O3/c1-11-4-13(24)10-28(9-11)15-2-3-26-7-12(15)5-16(29)18-19-17(31-20(18)25)6-14(8-27-19)30-21(22)23/h2-3,6-8,11,13,21H,4-5,9-10,24-25H2,1H3/t11-,13+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 431.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 149305656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).