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

C26H29N3O3 — CID 91427294

IUPAC4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine
SMILESCOCCN1CCC(c2cc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)o2)CC1
InChIInChI=1S/C26H29N3O3/c1-31-15-14-29-12-8-18(9-13-29)25-17-23(26(32-25)19-6-10-27-11-7-19)21-2-4-22-20(16-21)3-5-24(22)28-30/h2,4,6-7,10-11,16-18,24H,3,5,8-9,12-15H2,1H3
InChIKeyHOPNPVRNOCAVHR-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.59
Rot. Bonds7

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

4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine (PubChem CID 91427294) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine.

Molecular Properties

Compound Name4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine
PubChem CID91427294
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine
SMILESCOCCN1CCC(c2cc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)o2)CC1
InChIInChI=1S/C26H29N3O3/c1-31-15-14-29-12-8-18(9-13-29)25-17-23(26(32-25)19-6-10-27-11-7-19)21-2-4-22-20(16-21)3-5-24(22)28-30/h2,4,6-7,10-11,16-18,24H,3,5,8-9,12-15H2,1H3
InChIKeyHOPNPVRNOCAVHR-UHFFFAOYSA-N
XLogP5.59
TPSA67.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-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
(NE)-N-[5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135452829
N-[5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;hydrochloride
CID 136207967
(1E)-5-[5-(piperidin-4-yl)-2-(pyridin-4-yl)furan-3-yl]-2,3-dihydro-1H-indene-1-hydroxylamine
CID 91126317
(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-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136065886
N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135929388

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine?
The IUPAC name of 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine (CID 91427294) is 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine.
What is the SMILES notation for 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine?
The canonical SMILES for 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine is COCCN1CCC(c2cc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)o2)CC1.
What is the InChIKey of 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine?
The InChIKey is HOPNPVRNOCAVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-31-15-14-29-12-8-18(9-13-29)25-17-23(26(32-25)19-6-10-27-11-7-19)21-2-4-22-20(16-21)3-5-24(22)28-30/h2,4,6-7,10-11,16-18,24H,3,5,8-9,12-15H2,1H3.
What are the key properties of 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine?
4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine has a molecular weight of 431.54 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)furan-2-yl]pyridine is sourced from PubChem (CID 91427294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).