N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

C21H18BrN5O — CID 19512629

IUPACN-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(Br)cn2)c2ccccc2n1
InChIInChI=1S/C21H18BrN5O/c1-12-20(13(2)27(3)26-12)18-10-16(15-6-4-5-7-17(15)24-18)21(28)25-19-9-8-14(22)11-23-19/h4-11H,1-3H3,(H,23,25,28)
InChIKeySDHULEPSSBDGAW-UHFFFAOYSA-N
MW436.31 g/mol
LogP4.66
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19512629) has the molecular formula C21H18BrN5O and a molecular weight of 436.31 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19512629
Molecular FormulaC21H18BrN5O
Molecular Weight436.31 g/mol
Exact Mass435.07
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(Br)cn2)c2ccccc2n1
InChIInChI=1S/C21H18BrN5O/c1-12-20(13(2)27(3)26-12)18-10-16(15-6-4-5-7-17(15)24-18)21(28)25-19-9-8-14(22)11-23-19/h4-11H,1-3H3,(H,23,25,28)
InChIKeySDHULEPSSBDGAW-UHFFFAOYSA-N
XLogP4.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512882
N-cycloheptyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512639
N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512626
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512622
ethyl 1-methyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]pyrazole-4-carboxylate
CID 19512858
N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512791
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512746
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512652
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512796
N-(2-hydroxy-5-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512913
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512896
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512795

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (CID 19512629) is N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(Br)cn2)c2ccccc2n1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is SDHULEPSSBDGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN5O/c1-12-20(13(2)27(3)26-12)18-10-16(15-6-4-5-7-17(15)24-18)21(28)25-19-9-8-14(22)11-23-19/h4-11H,1-3H3,(H,23,25,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 436.31 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).