3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile

C15H24IN5O2 — CID 130474265

IUPAC3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile
SMILESCOc1nc(C(C)C)c(OC(C#N)C(N(C)C)N(C)C)nc1I
InChIInChI=1S/C15H24IN5O2/c1-9(2)11-13(19-12(16)14(18-11)22-7)23-10(8-17)15(20(3)4)21(5)6/h9-10,15H,1-7H3
InChIKeyCWSPWZMJYQGVRF-UHFFFAOYSA-N
MW433.29 g/mol
LogP1.93
Rot. Bonds7

About 3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile

3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile (PubChem CID 130474265) has the molecular formula C15H24IN5O2 and a molecular weight of 433.29 g/mol. Its IUPAC name is 3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile.

Molecular Properties

Compound Name3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile
PubChem CID130474265
Molecular FormulaC15H24IN5O2
Molecular Weight433.29 g/mol
Exact Mass433.10
IUPAC Name3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile
SMILESCOc1nc(C(C)C)c(OC(C#N)C(N(C)C)N(C)C)nc1I
InChIInChI=1S/C15H24IN5O2/c1-9(2)11-13(19-12(16)14(18-11)22-7)23-10(8-17)15(20(3)4)21(5)6/h9-10,15H,1-7H3
InChIKeyCWSPWZMJYQGVRF-UHFFFAOYSA-N
XLogP1.93
TPSA74.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile 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 3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile?
The IUPAC name of 3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile (CID 130474265) is 3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile.
What is the SMILES notation for 3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile?
The canonical SMILES for 3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile is COc1nc(C(C)C)c(OC(C#N)C(N(C)C)N(C)C)nc1I.
What is the InChIKey of 3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile?
The InChIKey is CWSPWZMJYQGVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN5O2/c1-9(2)11-13(19-12(16)14(18-11)22-7)23-10(8-17)15(20(3)4)21(5)6/h9-10,15H,1-7H3.
What are the key properties of 3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile?
3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile has a molecular weight of 433.29 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(dimethylamino)-2-(6-iodo-5-methoxy-3-propan-2-ylpyrazin-2-yl)oxypropanenitrile is sourced from PubChem (CID 130474265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).