2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole

C32H18N12S2 — CID 123502105

IUPAC2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole
SMILESc1ccc(-c2ccnc(-c3nccc(-c4ccnc(-c5cnc(-c6nnccc6-c6nc(-c7cscn7)cs6)nc5)n4)n3)c2)nc1
InChIInChI=1S/C32H18N12S2/c1-2-8-33-22(3-1)19-4-9-34-25(13-19)30-36-11-7-24(42-30)23-6-10-35-29(41-23)20-14-37-31(38-15-20)28-21(5-12-40-44-28)32-43-27(17-46-32)26-16-45-18-39-26/h1-18H
InChIKeyUXDZEUJJVRFQKK-UHFFFAOYSA-N
MW634.71 g/mol
LogP6.22
Rot. Bonds7

About 2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole

2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole (PubChem CID 123502105) has the molecular formula C32H18N12S2 and a molecular weight of 634.71 g/mol. Its IUPAC name is 2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole
PubChem CID123502105
Molecular FormulaC32H18N12S2
Molecular Weight634.71 g/mol
Exact Mass634.12
IUPAC Name2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole
SMILESc1ccc(-c2ccnc(-c3nccc(-c4ccnc(-c5cnc(-c6nnccc6-c6nc(-c7cscn7)cs6)nc5)n4)n3)c2)nc1
InChIInChI=1S/C32H18N12S2/c1-2-8-33-22(3-1)19-4-9-34-25(13-19)30-36-11-7-24(42-30)23-6-10-35-29(41-23)20-14-37-31(38-15-20)28-21(5-12-40-44-28)32-43-27(17-46-32)26-16-45-18-39-26/h1-18H
InChIKeyUXDZEUJJVRFQKK-UHFFFAOYSA-N
XLogP6.22
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500634.71
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole (CID 123502105) is 2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole is c1ccc(-c2ccnc(-c3nccc(-c4ccnc(-c5cnc(-c6nnccc6-c6nc(-c7cscn7)cs6)nc5)n4)n3)c2)nc1.
What is the InChIKey of 2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole?
The InChIKey is UXDZEUJJVRFQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N12S2/c1-2-8-33-22(3-1)19-4-9-34-25(13-19)30-36-11-7-24(42-30)23-6-10-35-29(41-23)20-14-37-31(38-15-20)28-21(5-12-40-44-28)32-43-27(17-46-32)26-16-45-18-39-26/h1-18H.
What are the key properties of 2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole?
2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole has a molecular weight of 634.71 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[4-[2-(4-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 123502105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).