4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide

C24H19N9O2S — CID 53469619

IUPAC4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)NCc2cn3ccsc3n2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C24H19N9O2S/c1-31-20(17(12-26-31)21(34)25-11-16-13-33-9-10-36-24(33)27-16)22(35)29-19-7-8-32-14-18(28-23(32)30-19)15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3,(H,25,34)(H,28,29,30,35)
InChIKeyWWHYLANLFUHWRD-UHFFFAOYSA-N
MW497.54 g/mol
LogP3.02
Rot. Bonds6

About 4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide

4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 53469619) has the molecular formula C24H19N9O2S and a molecular weight of 497.54 g/mol. Its IUPAC name is 4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID53469619
Molecular FormulaC24H19N9O2S
Molecular Weight497.54 g/mol
Exact Mass497.14
IUPAC Name4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)NCc2cn3ccsc3n2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C24H19N9O2S/c1-31-20(17(12-26-31)21(34)25-11-16-13-33-9-10-36-24(33)27-16)22(35)29-19-7-8-32-14-18(28-23(32)30-19)15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3,(H,25,34)(H,28,29,30,35)
InChIKeyWWHYLANLFUHWRD-UHFFFAOYSA-N
XLogP3.02
TPSA123.51 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (CID 53469619) is 4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is Cn1ncc(C(=O)NCc2cn3ccsc3n2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is WWHYLANLFUHWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N9O2S/c1-31-20(17(12-26-31)21(34)25-11-16-13-33-9-10-36-24(33)27-16)22(35)29-19-7-8-32-14-18(28-23(32)30-19)15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3,(H,25,34)(H,28,29,30,35).
What are the key properties of 4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 497.54 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 53469619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).