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

C24H26F3N5O2 — CID 147762585

IUPAC1-(2-amino-6-cyclobutylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone
SMILESNc1oc2cc(C3CCC3)cnc2c1C(=O)Cc1cnccc1N1C[C@@H](N)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C24H26F3N5O2/c25-24(26,27)16-8-17(28)12-32(11-16)18-4-5-30-9-15(18)6-19(33)21-22-20(34-23(21)29)7-14(10-31-22)13-2-1-3-13/h4-5,7,9-10,13,16-17H,1-3,6,8,11-12,28-29H2/t16-,17+/m1/s1
InChIKeyHEJGVDSNFCGUKY-SJORKVTESA-N
MW473.50 g/mol
LogP4.21
Rot. Bonds5

About 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

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 (PubChem CID 147762585) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(2-amino-6-cyclobutylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID147762585
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC Name1-(2-amino-6-cyclobutylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone
SMILESNc1oc2cc(C3CCC3)cnc2c1C(=O)Cc1cnccc1N1C[C@@H](N)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C24H26F3N5O2/c25-24(26,27)16-8-17(28)12-32(11-16)18-4-5-30-9-15(18)6-19(33)21-22-20(34-23(21)29)7-14(10-31-22)13-2-1-3-13/h4-5,7,9-10,13,16-17H,1-3,6,8,11-12,28-29H2/t16-,17+/m1/s1
InChIKeyHEJGVDSNFCGUKY-SJORKVTESA-N
XLogP4.21
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 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-(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-[(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-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
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
2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone
CID 158447913
3-amino-N-[4-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(1-methylpiperidin-4-yl)quinoline-2-carboxamide
CID 90279648
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1oc2cc(C3CCC3)cnc2c1C(=O)Cc1cnccc1N1C[C@@H](N)C[C@@H](C(F)(F)F)C1.
What is the InChIKey of 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?
The InChIKey is HEJGVDSNFCGUKY-SJORKVTESA-N. The full InChI is InChI=1S/C24H26F3N5O2/c25-24(26,27)16-8-17(28)12-32(11-16)18-4-5-30-9-15(18)6-19(33)21-22-20(34-23(21)29)7-14(10-31-22)13-2-1-3-13/h4-5,7,9-10,13,16-17H,1-3,6,8,11-12,28-29H2/t16-,17+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 473.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 147762585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).