6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline

C16H10BrClN4 — CID 22320245

IUPAC6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccccn2)c2nc3ccc(Br)cc3c(Cl)c12
InChIInChI=1S/C16H10BrClN4/c1-9-14-15(18)11-8-10(17)5-6-12(11)20-16(14)22(21-9)13-4-2-3-7-19-13/h2-8H,1H3
InChIKeyLQKDDUVRFDMQMP-UHFFFAOYSA-N
MW373.64 g/mol
LogP4.69
Rot. Bonds1

About 6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline

6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline (PubChem CID 22320245) has the molecular formula C16H10BrClN4 and a molecular weight of 373.64 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
PubChem CID22320245
Molecular FormulaC16H10BrClN4
Molecular Weight373.64 g/mol
Exact Mass371.98
IUPAC Name6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccccn2)c2nc3ccc(Br)cc3c(Cl)c12
InChIInChI=1S/C16H10BrClN4/c1-9-14-15(18)11-8-10(17)5-6-12(11)20-16(14)22(21-9)13-4-2-3-7-19-13/h2-8H,1H3
InChIKeyLQKDDUVRFDMQMP-UHFFFAOYSA-N
XLogP4.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.64
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 23586143
2-(2-Bromophenyl)[1,2,4]triazolo[1,5-c]quinazoline
CID 19583172
4-[(1E)-{2-[1-(3-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91050334
3-Bromo-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1474426
3-Bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1485560
3-bromo-5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 9909749
N-(4-bromophenyl)-N'-pyrido[1',2':1,5]pyrazolo[3,4-d]pyrimidin-4-ylurea
CID 11689490
1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905200
3-(2-chloroquinolin-6-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905216
4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44223354
3-(4-Chlorophenyl)-7-(4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 1472858
{5-[3-(3-Bromo-phenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylethynyl]-pyridin-2-yl}-dimethyl-amine
CID 10342811

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The IUPAC name of 6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline (CID 22320245) is 6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline.
What is the SMILES notation for 6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The canonical SMILES for 6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline is Cc1nn(-c2ccccn2)c2nc3ccc(Br)cc3c(Cl)c12.
What is the InChIKey of 6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The InChIKey is LQKDDUVRFDMQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN4/c1-9-14-15(18)11-8-10(17)5-6-12(11)20-16(14)22(21-9)13-4-2-3-7-19-13/h2-8H,1H3.
What are the key properties of 6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline has a molecular weight of 373.64 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline is sourced from PubChem (CID 22320245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).