4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine

C23H23N3O2 — CID 91126317

IUPAC4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine
SMILESO=NC1CCc2cc(-c3cc(C4CCNCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C23H23N3O2/c27-26-21-4-2-17-13-18(1-3-19(17)21)20-14-22(15-5-9-24-10-6-15)28-23(20)16-7-11-25-12-8-16/h1,3,7-8,11-15,21,24H,2,4-6,9-10H2
InChIKeyYERYFQKNIBQWGZ-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.23
Rot. Bonds4

About 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine

4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine (PubChem CID 91126317) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine.

Molecular Properties

Compound Name4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine
PubChem CID91126317
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine
SMILESO=NC1CCc2cc(-c3cc(C4CCNCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C23H23N3O2/c27-26-21-4-2-17-13-18(1-3-19(17)21)20-14-22(15-5-9-24-10-6-15)28-23(20)16-7-11-25-12-8-16/h1,3,7-8,11-15,21,24H,2,4-6,9-10H2
InChIKeyYERYFQKNIBQWGZ-UHFFFAOYSA-N
XLogP5.23
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine 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-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-5-(pyridin-4-yl)furan-2-yl}phenoxy)ethyl]dimethylamine
CID 90803372
[2-(4-{5-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-4-(pyridin-4-yl)furan-2-yl}phenoxy)ethyl]dimethylamine
CID 90842208
N-[2-(dimethylamino)ethyl]-4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-5-(pyridin-4-yl)furan-2-carboxamide
CID 91391208
(1E)-5-{5-[1-(2-methoxyethyl)piperidin-4-yl]-2-(pyridin-4-yl)furan-3-yl}-2,3-dihydro-1H-indene-1-hydroxylamine
CID 91427294
(1E)-5-[5-(morpholin-4-ylmethyl)-2-(pyridin-4-yl)furan-3-yl]-2,3-dihydro-1H-indene-1-hydroxylamine
CID 91593400
(NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135443467
(NE)-N-[5-[5-[1-(2-methoxyethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135453444
(NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135469450
N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135929388
(NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135542999
4-[5-[4-(5-Pyridin-4-ylfuran-2-yl)phenyl]furan-2-yl]pyridine
CID 399432
(5S)-5-{[[2-(5-methyl-2-furyl)benzyl](pyridin-3-ylmethyl)amino]methyl}pyrrolidin-2-one
CID 77080313

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine?
The IUPAC name of 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine (CID 91126317) is 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine.
What is the SMILES notation for 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine?
The canonical SMILES for 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine is O=NC1CCc2cc(-c3cc(C4CCNCC4)oc3-c3ccncc3)ccc21.
What is the InChIKey of 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine?
The InChIKey is YERYFQKNIBQWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-26-21-4-2-17-13-18(1-3-19(17)21)20-14-22(15-5-9-24-10-6-15)28-23(20)16-7-11-25-12-8-16/h1,3,7-8,11-15,21,24H,2,4-6,9-10H2.
What are the key properties of 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine?
4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine has a molecular weight of 373.46 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-2-yl]pyridine is sourced from PubChem (CID 91126317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).