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

C25H21BrN8O2 — CID 53469048

IUPAC4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCN(Cc1ccc(Br)cn1)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C25H21BrN8O2/c1-32(14-18-9-8-17(26)12-27-18)24(36)19-13-28-33(2)22(19)23(35)30-21-10-11-34-15-20(29-25(34)31-21)16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,29,30,31,35)
InChIKeyLSLANRKWQNRKPR-UHFFFAOYSA-N
MW545.40 g/mol
LogP3.81
Rot. Bonds6

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

4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 53469048) has the molecular formula C25H21BrN8O2 and a molecular weight of 545.40 g/mol. Its IUPAC name is 4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID53469048
Molecular FormulaC25H21BrN8O2
Molecular Weight545.40 g/mol
Exact Mass544.10
IUPAC Name4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCN(Cc1ccc(Br)cn1)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C25H21BrN8O2/c1-32(14-18-9-8-17(26)12-27-18)24(36)19-13-28-33(2)22(19)23(35)30-21-10-11-34-15-20(29-25(34)31-21)16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,29,30,31,35)
InChIKeyLSLANRKWQNRKPR-UHFFFAOYSA-N
XLogP3.81
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (CID 53469048) is 4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is CN(Cc1ccc(Br)cn1)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is LSLANRKWQNRKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN8O2/c1-32(14-18-9-8-17(26)12-27-18)24(36)19-13-28-33(2)22(19)23(35)30-21-10-11-34-15-20(29-25(34)31-21)16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,29,30,31,35).
What are the key properties of 4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 545.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-bromo-2-pyridinyl)methyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 53469048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).