1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline

C45H32BrN11 — CID 161112914

IUPAC1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline
SMILESBrc1[nH]nc2cnc3ccc(-c4cccnc4)cc3c12.Cc1c(N)cnc2ccc(-c3cccnc3)cc12.c1cncc(-c2ccc3ncc4[nH]ncc4c3c2)c1
InChIInChI=1S/C15H9BrN4.C15H10N4.C15H13N3/c16-15-14-11-6-9(10-2-1-5-17-7-10)3-4-12(11)18-8-13(14)19-20-15;1-2-11(7-16-5-1)10-3-4-14-12(6-10)13-8-18-19-15(13)9-17-14;1-10-13-7-11(12-3-2-6-17-8-12)4-5-15(13)18-9-14(10)16/h1-8H,(H,19,20);1-9H,(H,18,19);2-9H,16H2,1H3
InChIKeyUJXXSMOGTLZIIM-UHFFFAOYSA-N
MW806.73 g/mol
LogP10.30
Rot. Bonds3

About 1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline

1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline (PubChem CID 161112914) has the molecular formula C45H32BrN11 and a molecular weight of 806.73 g/mol. Its IUPAC name is 1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline
PubChem CID161112914
Molecular FormulaC45H32BrN11
Molecular Weight806.73 g/mol
Exact Mass805.20
IUPAC Name1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline
SMILESBrc1[nH]nc2cnc3ccc(-c4cccnc4)cc3c12.Cc1c(N)cnc2ccc(-c3cccnc3)cc12.c1cncc(-c2ccc3ncc4[nH]ncc4c3c2)c1
InChIInChI=1S/C15H9BrN4.C15H10N4.C15H13N3/c16-15-14-11-6-9(10-2-1-5-17-7-10)3-4-12(11)18-8-13(14)19-20-15;1-2-11(7-16-5-1)10-3-4-14-12(6-10)13-8-18-19-15(13)9-17-14;1-10-13-7-11(12-3-2-6-17-8-12)4-5-15(13)18-9-14(10)16/h1-8H,(H,19,20);1-9H,(H,18,19);2-9H,16H2,1H3
InChIKeyUJXXSMOGTLZIIM-UHFFFAOYSA-N
XLogP10.30
TPSA160.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.73
LogP ≤ 510.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline with MolForge

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Related Compounds

4-[3-(6-Bromo-pyridin-2-yl)-1H-pyrazol-4-yl]-quinoline
CID 10150095
5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole
CID 137116186
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 71240413
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137087962
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazole
CID 137088429
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137112384
5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137114111
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115499
5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137115921
N,N-dimethyl-1-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine
CID 137115966
1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137116176

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline?
The IUPAC name of 1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline (CID 161112914) is 1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline.
What is the SMILES notation for 1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline?
The canonical SMILES for 1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline is Brc1[nH]nc2cnc3ccc(-c4cccnc4)cc3c12.Cc1c(N)cnc2ccc(-c3cccnc3)cc12.c1cncc(-c2ccc3ncc4[nH]ncc4c3c2)c1.
What is the InChIKey of 1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline?
The InChIKey is UJXXSMOGTLZIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4.C15H10N4.C15H13N3/c16-15-14-11-6-9(10-2-1-5-17-7-10)3-4-12(11)18-8-13(14)19-20-15;1-2-11(7-16-5-1)10-3-4-14-12(6-10)13-8-18-19-15(13)9-17-14;1-10-13-7-11(12-3-2-6-17-8-12)4-5-15(13)18-9-14(10)16/h1-8H,(H,19,20);1-9H,(H,18,19);2-9H,16H2,1H3.
What are the key properties of 1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline?
1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline has a molecular weight of 806.73 g/mol, XLogP of 10.30, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-pyridin-3-yl-2H-pyrazolo[3,4-c]quinoline;4-methyl-6-pyridin-3-ylquinolin-3-amine;8-pyridin-3-yl-3H-pyrazolo[3,4-c]quinoline is sourced from PubChem (CID 161112914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).