4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine

C36H42N4O2S — CID 140983712

IUPAC4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine
SMILESc1ccc(C2(c3cccs3)N(N3CCOCC3)CCC(c3ccc[nH]3)C2(c2ccco2)C23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C36H42N4O2S/c1-2-11-38-31(7-1)36(33-9-5-19-43-33)35(32-8-4-16-42-32,34-23-26-20-27(24-34)22-28(21-26)25-34)29(30-6-3-12-37-30)10-13-40(36)39-14-17-41-18-15-39/h1-9,11-12,16,19,26-29,37H,10,13-15,17-18,20-25H2
InChIKeyZFQKNEJVQFAGHB-UHFFFAOYSA-N
MW594.83 g/mol
LogP7.20
Rot. Bonds6

About 4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine

4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine (PubChem CID 140983712) has the molecular formula C36H42N4O2S and a molecular weight of 594.83 g/mol. Its IUPAC name is 4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine.

Molecular Properties

Compound Name4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine
PubChem CID140983712
Molecular FormulaC36H42N4O2S
Molecular Weight594.83 g/mol
Exact Mass594.30
IUPAC Name4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine
SMILESc1ccc(C2(c3cccs3)N(N3CCOCC3)CCC(c3ccc[nH]3)C2(c2ccco2)C23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C36H42N4O2S/c1-2-11-38-31(7-1)36(33-9-5-19-43-33)35(32-8-4-16-42-32,34-23-26-20-27(24-34)22-28(21-26)25-34)29(30-6-3-12-37-30)10-13-40(36)39-14-17-41-18-15-39/h1-9,11-12,16,19,26-29,37H,10,13-15,17-18,20-25H2
InChIKeyZFQKNEJVQFAGHB-UHFFFAOYSA-N
XLogP7.20
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.83
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine 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

4-[5-[5-[(1-adamantylamino)methyl]-2-pyridinyl]furan-2-yl]-N-[(6-thiophen-3-yl-3-pyridinyl)methyl]adamantan-1-amine
CID 123675596
4-[5-[5-[(1-adamantylamino)methyl]-2-pyridinyl]furan-3-yl]-N-[(6-thiophen-3-yl-3-pyridinyl)methyl]adamantan-1-amine
CID 134232448
3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyridine
CID 140976742
2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine
CID 140978872
4-[3-(Furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine
CID 140983723
1-anthracen-1-yl-4-(furan-2-yl)-4-naphthalen-1-yl-5-naphthalen-2-yl-2-phenanthren-1-yl-5-(3-phenyl-1H-pyrrol-2-yl)-3-thiophen-2-yltriazolidine
CID 140985956
4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyridine
CID 141023594
2-(furan-2-yl)-2-(1H-pyrrol-2-yl)-1-thiophen-2-ylpiperidine
CID 141033470
2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole
CID 141059176
2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline
CID 141095880
3-(furan-2-yl)-5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyridine
CID 141131647
bis(N-(4H-cyclopenta[b]furan-5-ylmethyl)adamantan-1-amine);bis(N-(3H-pyrrolo[3,2-b]pyridin-2-ylmethyl)adamantan-1-amine);bis(N-(6H-thieno[3,2-b]pyrrol-5-ylmethyl)adamantan-1-amine);N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine
CID 157109832

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine?
The IUPAC name of 4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine (CID 140983712) is 4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine.
What is the SMILES notation for 4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine?
The canonical SMILES for 4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine is c1ccc(C2(c3cccs3)N(N3CCOCC3)CCC(c3ccc[nH]3)C2(c2ccco2)C23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of 4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine?
The InChIKey is ZFQKNEJVQFAGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N4O2S/c1-2-11-38-31(7-1)36(33-9-5-19-43-33)35(32-8-4-16-42-32,34-23-26-20-27(24-34)22-28(21-26)25-34)29(30-6-3-12-37-30)10-13-40(36)39-14-17-41-18-15-39/h1-9,11-12,16,19,26-29,37H,10,13-15,17-18,20-25H2.
What are the key properties of 4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine?
4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine has a molecular weight of 594.83 g/mol, XLogP of 7.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine is sourced from PubChem (CID 140983712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).