chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine

C23H30AuClN3O- — CID 172516519

IUPACchlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine
SMILESCC(C)c1cccc(C(C)C)c1N1C=C2C=CC=C(N3CCOCC3)N2[CH-]1.Cl[Au]
InChIInChI=1S/C23H30N3O.Au.ClH/c1-17(2)20-8-6-9-21(18(3)4)23(20)25-15-19-7-5-10-22(26(19)16-25)24-11-13-27-14-12-24;;/h5-10,15-18H,11-14H2,1-4H3;;1H/q-1;+1;/p-1
InChIKeyYRZLZWKLBDERCP-UHFFFAOYSA-M
MW596.93 g/mol
LogP5.45
Rot. Bonds4

About chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine

chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine (PubChem CID 172516519) has the molecular formula C23H30AuClN3O- and a molecular weight of 596.93 g/mol. Its IUPAC name is chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine.

Molecular Properties

Compound Namechlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine
PubChem CID172516519
Molecular FormulaC23H30AuClN3O-
Molecular Weight596.93 g/mol
Exact Mass596.17
IUPAC Namechlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine
SMILESCC(C)c1cccc(C(C)C)c1N1C=C2C=CC=C(N3CCOCC3)N2[CH-]1.Cl[Au]
InChIInChI=1S/C23H30N3O.Au.ClH/c1-17(2)20-8-6-9-21(18(3)4)23(20)25-15-19-7-5-10-22(26(19)16-25)24-11-13-27-14-12-24;;/h5-10,15-18H,11-14H2,1-4H3;;1H/q-1;+1;/p-1
InChIKeyYRZLZWKLBDERCP-UHFFFAOYSA-M
XLogP5.45
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.93
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene
CID 172516504
chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide
CID 174057888
chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine
CID 172516529
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane
CID 138962595
CID 71560960
CID 71560960
CID 162414939
CID 162414939
4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline
CID 154977988
1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaborolidine
CID 102596424
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
diaminogallylpotassium
CID 139033961
ethane;4-(6-propan-2-yl-2-pyridinyl)morpholine
CID 177361862

Frequently Asked Questions

What is the IUPAC name of chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine?
The IUPAC name of chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine (CID 172516519) is chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine.
What is the SMILES notation for chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine?
The canonical SMILES for chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine is CC(C)c1cccc(C(C)C)c1N1C=C2C=CC=C(N3CCOCC3)N2[CH-]1.Cl[Au].
What is the InChIKey of chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine?
The InChIKey is YRZLZWKLBDERCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H30N3O.Au.ClH/c1-17(2)20-8-6-9-21(18(3)4)23(20)25-15-19-7-5-10-22(26(19)16-25)24-11-13-27-14-12-24;;/h5-10,15-18H,11-14H2,1-4H3;;1H/q-1;+1;/p-1.
What are the key properties of chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine?
chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine has a molecular weight of 596.93 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine is sourced from PubChem (CID 172516519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).