azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide

C24H38N8O3 — CID 158098824

IUPACazane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide
SMILESCC(C)(C)OC=O.Cn1cc(-c2ccc(/N=C/N)cc2)c2ncnc(OC3CCNCC3)c21.N.N
InChIInChI=1S/C19H22N6O.C5H10O2.2H3N/c1-25-10-16(13-2-4-14(5-3-13)22-11-20)17-18(25)19(24-12-23-17)26-15-6-8-21-9-7-15;1-5(2,3)7-4-6;;/h2-5,10-12,15,21H,6-9H2,1H3,(H2,20,22);4H,1-3H3;2*1H3
InChIKeyAXQYPGNZFMEGJV-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.67
Rot. Bonds5

About azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide

azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide (PubChem CID 158098824) has the molecular formula C24H38N8O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide.

Molecular Properties

Compound Nameazane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide
PubChem CID158098824
Molecular FormulaC24H38N8O3
Molecular Weight486.62 g/mol
Exact Mass486.31
IUPAC Nameazane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide
SMILESCC(C)(C)OC=O.Cn1cc(-c2ccc(/N=C/N)cc2)c2ncnc(OC3CCNCC3)c21.N.N
InChIInChI=1S/C19H22N6O.C5H10O2.2H3N/c1-25-10-16(13-2-4-14(5-3-13)22-11-20)17-18(25)19(24-12-23-17)26-15-6-8-21-9-7-15;1-5(2,3)7-4-6;;/h2-5,10-12,15,21H,6-9H2,1H3,(H2,20,22);4H,1-3H3;2*1H3
InChIKeyAXQYPGNZFMEGJV-UHFFFAOYSA-N
XLogP3.67
TPSA186.65 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide 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 azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide?
The IUPAC name of azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide (CID 158098824) is azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide.
What is the SMILES notation for azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide?
The canonical SMILES for azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide is CC(C)(C)OC=O.Cn1cc(-c2ccc(/N=C/N)cc2)c2ncnc(OC3CCNCC3)c21.N.N.
What is the InChIKey of azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide?
The InChIKey is AXQYPGNZFMEGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O.C5H10O2.2H3N/c1-25-10-16(13-2-4-14(5-3-13)22-11-20)17-18(25)19(24-12-23-17)26-15-6-8-21-9-7-15;1-5(2,3)7-4-6;;/h2-5,10-12,15,21H,6-9H2,1H3,(H2,20,22);4H,1-3H3;2*1H3.
What are the key properties of azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide?
azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide has a molecular weight of 486.62 g/mol, XLogP of 3.67, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tert-butyl formate;N'-[4-(5-methyl-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanimidamide is sourced from PubChem (CID 158098824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).