5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine

C24H29N3O — CID 159065430

IUPAC5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine
SMILESC=C(C)c1coc2ccc(CCc3cnccc3N3C[C@H](C)C[C@H](C)C3)nc12
InChIInChI=1S/C24H29N3O/c1-16(2)21-15-28-23-8-7-20(26-24(21)23)6-5-19-12-25-10-9-22(19)27-13-17(3)11-18(4)14-27/h7-10,12,15,17-18H,1,5-6,11,13-14H2,2-4H3/t17-,18+
InChIKeyJYZMEJWUVNQSKO-HDICACEKSA-N
MW375.52 g/mol
LogP5.52
Rot. Bonds5

About 5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine

5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine (PubChem CID 159065430) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine.

Molecular Properties

Compound Name5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine
PubChem CID159065430
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine
SMILESC=C(C)c1coc2ccc(CCc3cnccc3N3C[C@H](C)C[C@H](C)C3)nc12
InChIInChI=1S/C24H29N3O/c1-16(2)21-15-28-23-8-7-20(26-24(21)23)6-5-19-12-25-10-9-22(19)27-13-17(3)11-18(4)14-27/h7-10,12,15,17-18H,1,5-6,11,13-14H2,2-4H3/t17-,18+
InChIKeyJYZMEJWUVNQSKO-HDICACEKSA-N
XLogP5.52
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-(2,6-difluorophenyl)-4-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]pyrimidine
CID 153084442
3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine
CID 81237796
1-[4-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81249384
1-(3-bromofuro[3,2-b]pyridin-5-yl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]ethanone
CID 159897353
(3S,5R)-1-[3-[2-[6-(2,6-difluoro-4-propylphenyl)-5-fluoro-2-pyridinyl]ethyl]-4-pyridinyl]-5-methylpiperidin-3-amine
CID 153220275
[(3S,5R)-1-[3-[2-(6-bromo-5-fluoro-2-pyridinyl)ethyl]-4-pyridinyl]-3,5-dimethylpiperidin-4-yl]oxy-tert-butyl-dimethylsilane
CID 147171809
tert-butyl 2-[(1S,3R,5R)-3-methyl-5-[3-[2-oxo-2-(3-prop-1-en-2-ylfuro[3,2-b]pyridin-5-yl)ethyl]-4-pyridinyl]cyclohexyl]acetate
CID 158515980
(3R)-1-[[4-[6-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]methyl]pyrrolidin-3-ol
CID 158913854
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-pyrimidin-5-ylfuro[3,2-b]pyridine-5-carboxamide
CID 118644525
2-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(3-propan-2-ylthieno[3,2-b]pyridin-5-yl)ethanone
CID 159402464
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247739
4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine
CID 145199464

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine?
The IUPAC name of 5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine (CID 159065430) is 5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine.
What is the SMILES notation for 5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine?
The canonical SMILES for 5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine is C=C(C)c1coc2ccc(CCc3cnccc3N3C[C@H](C)C[C@H](C)C3)nc12.
What is the InChIKey of 5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine?
The InChIKey is JYZMEJWUVNQSKO-HDICACEKSA-N. The full InChI is InChI=1S/C24H29N3O/c1-16(2)21-15-28-23-8-7-20(26-24(21)23)6-5-19-12-25-10-9-22(19)27-13-17(3)11-18(4)14-27/h7-10,12,15,17-18H,1,5-6,11,13-14H2,2-4H3/t17-,18+.
What are the key properties of 5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine?
5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine has a molecular weight of 375.52 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-prop-1-en-2-ylfuro[3,2-b]pyridine is sourced from PubChem (CID 159065430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).