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

C17H13BrN6O — CID 67388568

IUPAC4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C17H13BrN6O/c1-23-15(12(18)9-19-23)16(25)21-14-7-8-24-10-13(20-17(24)22-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21,22,25)
InChIKeyLMTZYPHUKCJKEA-UHFFFAOYSA-N
MW397.24 g/mol
LogP3.14
Rot. Bonds3

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

4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide (PubChem CID 67388568) has the molecular formula C17H13BrN6O and a molecular weight of 397.24 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
PubChem CID67388568
Molecular FormulaC17H13BrN6O
Molecular Weight397.24 g/mol
Exact Mass396.03
IUPAC Name4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C17H13BrN6O/c1-23-15(12(18)9-19-23)16(25)21-14-7-8-24-10-13(20-17(24)22-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21,22,25)
InChIKeyLMTZYPHUKCJKEA-UHFFFAOYSA-N
XLogP3.14
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide (CID 67388568) is 4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide is Cn1ncc(Br)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide?
The InChIKey is LMTZYPHUKCJKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN6O/c1-23-15(12(18)9-19-23)16(25)21-14-7-8-24-10-13(20-17(24)22-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21,22,25).
What are the key properties of 4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide?
4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide has a molecular weight of 397.24 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 67388568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).