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

C24H31N5O3 — CID 157263192

IUPAC2-[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
SMILESCCCc1cnc2c(C(=O)Cc3cnccc3N3C[C@@H](N)[C@](C)(O)[C@@H](C)C3)c(N)oc2c1
InChIInChI=1S/C24H31N5O3/c1-4-5-15-8-19-22(28-10-15)21(23(26)32-19)18(30)9-16-11-27-7-6-17(16)29-12-14(2)24(3,31)20(25)13-29/h6-8,10-11,14,20,31H,4-5,9,12-13,25-26H2,1-3H3/t14-,20+,24+/m0/s1
InChIKeyAXRWLJFNQGPPHL-KVGGTASHSA-N
MW437.54 g/mol
LogP2.72
Rot. Bonds6

About 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

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 (PubChem CID 157263192) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157263192
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name2-[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
SMILESCCCc1cnc2c(C(=O)Cc3cnccc3N3C[C@@H](N)[C@](C)(O)[C@@H](C)C3)c(N)oc2c1
InChIInChI=1S/C24H31N5O3/c1-4-5-15-8-19-22(28-10-15)21(23(26)32-19)18(30)9-16-11-27-7-6-17(16)29-12-14(2)24(3,31)20(25)13-29/h6-8,10-11,14,20,31H,4-5,9,12-13,25-26H2,1-3H3/t14-,20+,24+/m0/s1
InChIKeyAXRWLJFNQGPPHL-KVGGTASHSA-N
XLogP2.72
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide
CID 159933956
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-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-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 159405423
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-[(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-cyclobutylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone
CID 147762585
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
1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone
CID 167699791
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247739

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1cnc2c(C(=O)Cc3cnccc3N3C[C@@H](N)[C@](C)(O)[C@@H](C)C3)c(N)oc2c1.
What is the InChIKey of 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?
The InChIKey is AXRWLJFNQGPPHL-KVGGTASHSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-4-5-15-8-19-22(28-10-15)21(23(26)32-19)18(30)9-16-11-27-7-6-17(16)29-12-14(2)24(3,31)20(25)13-29/h6-8,10-11,14,20,31H,4-5,9,12-13,25-26H2,1-3H3/t14-,20+,24+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 437.54 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157263192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).