7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H16BrN5O2 — CID 171342239

IUPAC7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Nc2nn3c(-c4ccc(Br)cc4)ccnc3c2C(N)=O)cc1
InChIInChI=1S/C20H16BrN5O2/c1-28-15-8-6-14(7-9-15)24-19-17(18(22)27)20-23-11-10-16(26(20)25-19)12-2-4-13(21)5-3-12/h2-11H,1H3,(H2,22,27)(H,24,25)
InChIKeyVGXAFEPNYGFRJV-UHFFFAOYSA-N
MW438.29 g/mol
LogP4.01
Rot. Bonds5

About 7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 171342239) has the molecular formula C20H16BrN5O2 and a molecular weight of 438.29 g/mol. Its IUPAC name is 7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID171342239
Molecular FormulaC20H16BrN5O2
Molecular Weight438.29 g/mol
Exact Mass437.05
IUPAC Name7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Nc2nn3c(-c4ccc(Br)cc4)ccnc3c2C(N)=O)cc1
InChIInChI=1S/C20H16BrN5O2/c1-28-15-8-6-14(7-9-15)24-19-17(18(22)27)20-23-11-10-16(26(20)25-19)12-2-4-13(21)5-3-12/h2-11H,1H3,(H2,22,27)(H,24,25)
InChIKeyVGXAFEPNYGFRJV-UHFFFAOYSA-N
XLogP4.01
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 656061
CID 656061
CID 3158179
CID 3158179
CID 44589729
CID 44589729
CID 46907765
CID 46907765
CID 66555956
CID 66555956
CID 68328415
CID 68328415
CID 68328520
CID 68328520
CID 90272141
CID 90272141
CID 137642136
CID 137642136
CID 2168938
CID 2168938
CID 135378813
CID 135378813
CID 661360
CID 661360

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 171342239) is 7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Nc2nn3c(-c4ccc(Br)cc4)ccnc3c2C(N)=O)cc1.
What is the InChIKey of 7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VGXAFEPNYGFRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O2/c1-28-15-8-6-14(7-9-15)24-19-17(18(22)27)20-23-11-10-16(26(20)25-19)12-2-4-13(21)5-3-12/h2-11H,1H3,(H2,22,27)(H,24,25).
What are the key properties of 7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 438.29 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 171342239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).