N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H10BrN5O — CID 19414453

IUPACN-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c2cccnc12)c1cnn2cccnc12
InChIInChI=1S/C16H10BrN5O/c17-12-4-5-13(14-10(12)3-1-6-18-14)21-16(23)11-9-20-22-8-2-7-19-15(11)22/h1-9H,(H,21,23)
InChIKeyNEJIYERJTJFBJA-UHFFFAOYSA-N
MW368.19 g/mol
LogP3.29
Rot. Bonds2

About N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19414453) has the molecular formula C16H10BrN5O and a molecular weight of 368.19 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19414453
Molecular FormulaC16H10BrN5O
Molecular Weight368.19 g/mol
Exact Mass367.01
IUPAC NameN-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c2cccnc12)c1cnn2cccnc12
InChIInChI=1S/C16H10BrN5O/c17-12-4-5-13(14-10(12)3-1-6-18-14)21-16(23)11-9-20-22-8-2-7-19-15(11)22/h1-9H,(H,21,23)
InChIKeyNEJIYERJTJFBJA-UHFFFAOYSA-N
XLogP3.29
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(5-bromoquinolin-8-yl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280667
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414583
N-(5-bromoquinolin-8-yl)-2-nitrobenzamide
CID 1332037
N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide
CID 19280962
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid
CID 22742503
N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474197
N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140844597
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19414453) is N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(Br)c2cccnc12)c1cnn2cccnc12.
What is the InChIKey of N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NEJIYERJTJFBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN5O/c17-12-4-5-13(14-10(12)3-1-6-18-14)21-16(23)11-9-20-22-8-2-7-19-15(11)22/h1-9H,(H,21,23).
What are the key properties of N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 368.19 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19414453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).