methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate

C20H15N5O2 — CID 67285242

IUPACmethyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2c(-c3ccccc3)nc3c(C#N)c[nH]n23)cc1
InChIInChI=1S/C20H15N5O2/c1-27-20(26)14-7-9-16(10-8-14)23-19-17(13-5-3-2-4-6-13)24-18-15(11-21)12-22-25(18)19/h2-10,12,22-23H,1H3
InChIKeyKGEAROKEKDUNQL-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.73
Rot. Bonds4

About methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate

methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate (PubChem CID 67285242) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate
PubChem CID67285242
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Namemethyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2c(-c3ccccc3)nc3c(C#N)c[nH]n23)cc1
InChIInChI=1S/C20H15N5O2/c1-27-20(26)14-7-9-16(10-8-14)23-19-17(13-5-3-2-4-6-13)24-18-15(11-21)12-22-25(18)19/h2-10,12,22-23H,1H3
InChIKeyKGEAROKEKDUNQL-UHFFFAOYSA-N
XLogP3.73
TPSA95.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate?
The IUPAC name of methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate (CID 67285242) is methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate?
The canonical SMILES for methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate is COC(=O)c1ccc(Nc2c(-c3ccccc3)nc3c(C#N)c[nH]n23)cc1.
What is the InChIKey of methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate?
The InChIKey is KGEAROKEKDUNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-27-20(26)14-7-9-16(10-8-14)23-19-17(13-5-3-2-4-6-13)24-18-15(11-21)12-22-25(18)19/h2-10,12,22-23H,1H3.
What are the key properties of methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate?
methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate has a molecular weight of 357.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate is sourced from PubChem (CID 67285242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).