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

C23H20N8O2S — CID 53469815

IUPAC1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCc1nc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)cs1
InChIInChI=1S/C23H20N8O2S/c1-14-26-16(13-34-14)10-24-21(32)17-11-25-30(2)20(17)22(33)28-19-8-9-31-12-18(27-23(31)29-19)15-6-4-3-5-7-15/h3-9,11-13H,10H2,1-2H3,(H,24,32)(H,27,28,29,33)
InChIKeyWEWQPIXGXHRIOJ-UHFFFAOYSA-N
MW472.53 g/mol
LogP3.08
Rot. Bonds6

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

1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 53469815) has the molecular formula C23H20N8O2S and a molecular weight of 472.53 g/mol. Its IUPAC name is 1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID53469815
Molecular FormulaC23H20N8O2S
Molecular Weight472.53 g/mol
Exact Mass472.14
IUPAC Name1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCc1nc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)cs1
InChIInChI=1S/C23H20N8O2S/c1-14-26-16(13-34-14)10-24-21(32)17-11-25-30(2)20(17)22(33)28-19-8-9-31-12-18(27-23(31)29-19)15-6-4-3-5-7-15/h3-9,11-13H,10H2,1-2H3,(H,24,32)(H,27,28,29,33)
InChIKeyWEWQPIXGXHRIOJ-UHFFFAOYSA-N
XLogP3.08
TPSA119.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (CID 53469815) is 1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is Cc1nc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)cs1.
What is the InChIKey of 1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is WEWQPIXGXHRIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2S/c1-14-26-16(13-34-14)10-24-21(32)17-11-25-30(2)20(17)22(33)28-19-8-9-31-12-18(27-23(31)29-19)15-6-4-3-5-7-15/h3-9,11-13H,10H2,1-2H3,(H,24,32)(H,27,28,29,33).
What are the key properties of 1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 472.53 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 53469815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).