1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

C19H20BrN5O2 — CID 159405423

IUPAC1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESNc1oc2cc(Br)cnc2c1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C19H20BrN5O2/c20-12-7-16-18(24-9-12)17(19(22)27-16)15(26)6-11-8-23-4-3-14(11)25-5-1-2-13(21)10-25/h3-4,7-9,13H,1-2,5-6,10,21-22H2/t13-/m0/s1
InChIKeyLNWVDVMBFRLXLU-ZDUSSCGKSA-N
MW430.31 g/mol
LogP2.92
Rot. Bonds4

About 1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 159405423) has the molecular formula C19H20BrN5O2 and a molecular weight of 430.31 g/mol. Its IUPAC name is 1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID159405423
Molecular FormulaC19H20BrN5O2
Molecular Weight430.31 g/mol
Exact Mass429.08
IUPAC Name1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESNc1oc2cc(Br)cnc2c1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C19H20BrN5O2/c20-12-7-16-18(24-9-12)17(19(22)27-16)15(26)6-11-8-23-4-3-14(11)25-5-1-2-13(21)10-25/h3-4,7-9,13H,1-2,5-6,10,21-22H2/t13-/m0/s1
InChIKeyLNWVDVMBFRLXLU-ZDUSSCGKSA-N
XLogP2.92
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-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-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-(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-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
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-[3-amino-6-(2-aminopyrimidin-4-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 158451136
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-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-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone
CID 147607647
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
6-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]pyridine-3-carboxamide
CID 157102130
2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone
CID 158447913

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (CID 159405423) is 1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is Nc1oc2cc(Br)cnc2c1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.
What is the InChIKey of 1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is LNWVDVMBFRLXLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20BrN5O2/c20-12-7-16-18(24-9-12)17(19(22)27-16)15(26)6-11-8-23-4-3-14(11)25-5-1-2-13(21)10-25/h3-4,7-9,13H,1-2,5-6,10,21-22H2/t13-/m0/s1.
What are the key properties of 1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 430.31 g/mol, XLogP of 2.92, 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-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 159405423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).