imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride

C18H29ClN5O2P — CID 6603558

IUPACimino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride
SMILESCl.[H]N=P(c1c2ccccc2nn1CCC)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C18H28N5O2P.ClH/c1-2-7-23-18(16-5-3-4-6-17(16)20-23)26(19,21-8-12-24-13-9-21)22-10-14-25-15-11-22;/h3-6,19H,2,7-15H2,1H3;1H
InChIKeyVXDRSDHJDJCRCV-UHFFFAOYSA-N
MW413.89 g/mol
LogP2.77
Rot. Bonds5

About imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride

imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride (PubChem CID 6603558) has the molecular formula C18H29ClN5O2P and a molecular weight of 413.89 g/mol. Its IUPAC name is imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride.

Molecular Properties

Compound Nameimino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride
PubChem CID6603558
Molecular FormulaC18H29ClN5O2P
Molecular Weight413.89 g/mol
Exact Mass413.17
IUPAC Nameimino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride
SMILESCl.[H]N=P(c1c2ccccc2nn1CCC)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C18H28N5O2P.ClH/c1-2-7-23-18(16-5-3-4-6-17(16)20-23)26(19,21-8-12-24-13-9-21)22-10-14-25-15-11-22;/h3-6,19H,2,7-15H2,1H3;1H
InChIKeyVXDRSDHJDJCRCV-UHFFFAOYSA-N
XLogP2.77
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride?
The IUPAC name of imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride (CID 6603558) is imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride.
What is the SMILES notation for imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride?
The canonical SMILES for imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride is Cl.[H]N=P(c1c2ccccc2nn1CCC)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride?
The InChIKey is VXDRSDHJDJCRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N5O2P.ClH/c1-2-7-23-18(16-5-3-4-6-17(16)20-23)26(19,21-8-12-24-13-9-21)22-10-14-25-15-11-22;/h3-6,19H,2,7-15H2,1H3;1H.
What are the key properties of imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride?
imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride has a molecular weight of 413.89 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imino-dimorpholin-4-yl-(2-propylindazol-3-yl)-λ5-phosphane;hydrochloride is sourced from PubChem (CID 6603558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).