methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate

C27H40N2O2Sn — CID 151109576

IUPACmethyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(-c2ccc(C3(C(=O)OC)CC3)cc2)cn1
InChIInChI=1S/C15H13N2O2.3C4H9.Sn/c1-19-14(18)15(6-7-15)12-4-2-11(3-5-12)13-10-16-8-9-17-13;3*1-3-4-2;/h2-5,9-10H,6-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyMPVKDEFUVIHVTH-UHFFFAOYSA-N
MW543.34 g/mol
LogP6.40
Rot. Bonds13

About methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate

methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate (PubChem CID 151109576) has the molecular formula C27H40N2O2Sn and a molecular weight of 543.34 g/mol. Its IUPAC name is methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate
PubChem CID151109576
Molecular FormulaC27H40N2O2Sn
Molecular Weight543.34 g/mol
Exact Mass544.21
IUPAC Namemethyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(-c2ccc(C3(C(=O)OC)CC3)cc2)cn1
InChIInChI=1S/C15H13N2O2.3C4H9.Sn/c1-19-14(18)15(6-7-15)12-4-2-11(3-5-12)13-10-16-8-9-17-13;3*1-3-4-2;/h2-5,9-10H,6-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyMPVKDEFUVIHVTH-UHFFFAOYSA-N
XLogP6.40
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.34
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate 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 methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate (CID 151109576) is methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate is CCCC[Sn](CCCC)(CCCC)c1cnc(-c2ccc(C3(C(=O)OC)CC3)cc2)cn1.
What is the InChIKey of methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate?
The InChIKey is MPVKDEFUVIHVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N2O2.3C4H9.Sn/c1-19-14(18)15(6-7-15)12-4-2-11(3-5-12)13-10-16-8-9-17-13;3*1-3-4-2;/h2-5,9-10H,6-7H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate?
methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate has a molecular weight of 543.34 g/mol, XLogP of 6.40, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 151109576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).