3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane

C66H77BrN14O6Sn — CID 159941483

About 3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane

3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane (PubChem CID 159941483) has the molecular formula C66H77BrN14O6Sn and a molecular weight of 1361.05 g/mol. Its IUPAC name is 3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane.

Molecular Properties

• Compound Name: 3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane
• PubChem CID: 159941483
• Molecular Formula: C66H77BrN14O6Sn
• Molecular Weight: 1361.05 g/mol
• Exact Mass: 1360.44
• IUPAC Name: 3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1cnccn1.O=c1n(Cc2nc(OCC3CCOC3)c3cc(-c4cnccn4)ccc3n2)c2cnccc2n1C1CC1.O=c1n(Cc2nc(OCC3CCOC3)c3cc(Br)ccc3n2)c2cnccc2n1C1CC1
• InChI: InChI=1S/C27H25N7O3.C23H22BrN5O3.C4H3N2.3C4H9.Sn/c35-27-33(24-13-28-7-5-23(24)34(27)19-2-3-19)14-25-31-21-4-1-18(22-12-29-8-9-30-22)11-20(21)26(32-25)37-16-17-6-10-36-15-17;24-15-1-4-18-17(9-15)22(32-13-14-6-8-31-12-14)27-21(26-18)11-28-20-10-25-7-5-19(20)29(23(28)30)16-2-3-16;1-2-6-4-3-5-1;3*1-3-4-2;/h1,4-5,7-9,11-13,17,19H,2-3,6,10,14-16H2;1,4-5,7,9-10,14,16H,2-3,6,8,11-13H2;1-3H;3*1,3-4H2,2H3
• InChIKey: OAYAQMZOLCTTJC-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 219.68 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1361.05
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane?

The IUPAC name of 3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane (CID 159941483) is 3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane.

What is the SMILES notation for 3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane?

The canonical SMILES for 3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cnccn1.O=c1n(Cc2nc(OCC3CCOC3)c3cc(-c4cnccn4)ccc3n2)c2cnccc2n1C1CC1.O=c1n(Cc2nc(OCC3CCOC3)c3cc(Br)ccc3n2)c2cnccc2n1C1CC1.

What is the InChIKey of 3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane?

The InChIKey is OAYAQMZOLCTTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O3.C23H22BrN5O3.C4H3N2.3C4H9.Sn/c35-27-33(24-13-28-7-5-23(24)34(27)19-2-3-19)14-25-31-21-4-1-18(22-12-29-8-9-30-22)11-20(21)26(32-25)37-16-17-6-10-36-15-17;24-15-1-4-18-17(9-15)22(32-13-14-6-8-31-12-14)27-21(26-18)11-28-20-10-25-7-5-19(20)29(23(28)30)16-2-3-16;1-2-6-4-3-5-1;3*1-3-4-2;/h1,4-5,7-9,11-13,17,19H,2-3,6,10,14-16H2;1,4-5,7,9-10,14,16H,2-3,6,8,11-13H2;1-3H;3*1,3-4H2,2H3;.

What are the key properties of 3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane?

3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane has a molecular weight of 1361.05 g/mol, XLogP of 11.63, 23 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane is sourced from PubChem (CID 159941483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).