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

C25H21N7O2 — CID 53469814

IUPAC4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)NCc2ccccc2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C25H21N7O2/c1-31-22(19(15-27-31)23(33)26-14-17-8-4-2-5-9-17)24(34)29-21-12-13-32-16-20(28-25(32)30-21)18-10-6-3-7-11-18/h2-13,15-16H,14H2,1H3,(H,26,33)(H,28,29,30,34)
InChIKeyPUOUDONROJGRTL-UHFFFAOYSA-N
MW451.49 g/mol
LogP3.31
Rot. Bonds6

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

4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 53469814) has the molecular formula C25H21N7O2 and a molecular weight of 451.49 g/mol. Its IUPAC name is 4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID53469814
Molecular FormulaC25H21N7O2
Molecular Weight451.49 g/mol
Exact Mass451.18
IUPAC Name4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)NCc2ccccc2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C25H21N7O2/c1-31-22(19(15-27-31)23(33)26-14-17-8-4-2-5-9-17)24(34)29-21-12-13-32-16-20(28-25(32)30-21)18-10-6-3-7-11-18/h2-13,15-16H,14H2,1H3,(H,26,33)(H,28,29,30,34)
InChIKeyPUOUDONROJGRTL-UHFFFAOYSA-N
XLogP3.31
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (CID 53469814) is 4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is Cn1ncc(C(=O)NCc2ccccc2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is PUOUDONROJGRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O2/c1-31-22(19(15-27-31)23(33)26-14-17-8-4-2-5-9-17)24(34)29-21-12-13-32-16-20(28-25(32)30-21)18-10-6-3-7-11-18/h2-13,15-16H,14H2,1H3,(H,26,33)(H,28,29,30,34).
What are the key properties of 4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 451.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 53469814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).