4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine

C23H23N3O3 — CID 91593400

IUPAC4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine
SMILESO=NC1CCc2cc(-c3cc(CN4CCOCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C23H23N3O3/c27-25-22-4-2-17-13-18(1-3-20(17)22)21-14-19(15-26-9-11-28-12-10-26)29-23(21)16-5-7-24-8-6-16/h1,3,5-8,13-14,22H,2,4,9-12,15H2
InChIKeyLMSIQLBHZSSPIK-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.59
Rot. Bonds5

About 4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine

4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine (PubChem CID 91593400) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine
PubChem CID91593400
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine
SMILESO=NC1CCc2cc(-c3cc(CN4CCOCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C23H23N3O3/c27-25-22-4-2-17-13-18(1-3-20(17)22)21-14-19(15-26-9-11-28-12-10-26)29-23(21)16-5-7-24-8-6-16/h1,3,5-8,13-14,22H,2,4,9-12,15H2
InChIKeyLMSIQLBHZSSPIK-UHFFFAOYSA-N
XLogP4.59
TPSA67.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine with MolForge

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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-[1-(2-methoxyethyl)piperidin-4-yl]-2-(pyridin-4-yl)furan-3-yl}-2,3-dihydro-1H-indene-1-hydroxylamine
CID 91427294
N-[2-(dimethylamino)ethyl]-4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 135581547
(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
2-(furan-2-yl)-4-pyridin-2-yl-5H-indeno[1,2-b]pyridine
CID 101884634

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine (CID 91593400) is 4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine is O=NC1CCc2cc(-c3cc(CN4CCOCC4)oc3-c3ccncc3)ccc21.
What is the InChIKey of 4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine?
The InChIKey is LMSIQLBHZSSPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-25-22-4-2-17-13-18(1-3-20(17)22)21-14-19(15-26-9-11-28-12-10-26)29-23(21)16-5-7-24-8-6-16/h1,3,5-8,13-14,22H,2,4,9-12,15H2.
What are the key properties of 4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine?
4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine has a molecular weight of 389.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]methyl]morpholine is sourced from PubChem (CID 91593400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).