N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide

C17H16BrN5O — CID 171997574

IUPACN-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CN(c3ccc4ccc(Br)cc4n3)C2)n1
InChIInChI=1S/C17H16BrN5O/c1-22-7-6-14(21-22)17(24)19-13-9-23(10-13)16-5-3-11-2-4-12(18)8-15(11)20-16/h2-8,13H,9-10H2,1H3,(H,19,24)
InChIKeyBRFNBKJJCIRRJD-UHFFFAOYSA-N
MW386.25 g/mol
LogP2.35
Rot. Bonds3

About N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide

N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171997574) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171997574
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC NameN-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CN(c3ccc4ccc(Br)cc4n3)C2)n1
InChIInChI=1S/C17H16BrN5O/c1-22-7-6-14(21-22)17(24)19-13-9-23(10-13)16-5-3-11-2-4-12(18)8-15(11)20-16/h2-8,13H,9-10H2,1H3,(H,19,24)
InChIKeyBRFNBKJJCIRRJD-UHFFFAOYSA-N
XLogP2.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993788
N-[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171997949
N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997661
1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide
CID 171993697
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993726
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171994912
1-(7-bromoquinolin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171691601
N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171996543
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171994017
N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997312
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide (CID 171997574) is N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CN(c3ccc4ccc(Br)cc4n3)C2)n1.
What is the InChIKey of N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is BRFNBKJJCIRRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c1-22-7-6-14(21-22)17(24)19-13-9-23(10-13)16-5-3-11-2-4-12(18)8-15(11)20-16/h2-8,13H,9-10H2,1H3,(H,19,24).
What are the key properties of N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171997574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).