(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone

C22H19BrN4O2 — CID 55916436

IUPAC(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCCc4cc(Br)ccc43)c12
InChIInChI=1S/C22H19BrN4O2/c1-13-20-16(12-17(19-6-4-10-29-19)24-21(20)26(2)25-13)22(28)27-9-3-5-14-11-15(23)7-8-18(14)27/h4,6-8,10-12H,3,5,9H2,1-2H3
InChIKeyVNJMVAPAFQHKSU-UHFFFAOYSA-N
MW451.32 g/mol
LogP4.89
Rot. Bonds2

About (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone

(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 55916436) has the molecular formula C22H19BrN4O2 and a molecular weight of 451.32 g/mol. Its IUPAC name is (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID55916436
Molecular FormulaC22H19BrN4O2
Molecular Weight451.32 g/mol
Exact Mass450.07
IUPAC Name(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCCc4cc(Br)ccc43)c12
InChIInChI=1S/C22H19BrN4O2/c1-13-20-16(12-17(19-6-4-10-29-19)24-21(20)26(2)25-13)22(28)27-9-3-5-14-11-15(23)7-8-18(14)27/h4,6-8,10-12H,3,5,9H2,1-2H3
InChIKeyVNJMVAPAFQHKSU-UHFFFAOYSA-N
XLogP4.89
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 35184700
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 134028095
[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854336
1-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 46564669
2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile
CID 56583117
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 16609396
[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 55972717
6-(furan-2-yl)-N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823438
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317
6-(furan-2-yl)-1,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55534254
N-cyclopropyl-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35185320
N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51118093

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone (CID 55916436) is (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCCc4cc(Br)ccc43)c12.
What is the InChIKey of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is VNJMVAPAFQHKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O2/c1-13-20-16(12-17(19-6-4-10-29-19)24-21(20)26(2)25-13)22(28)27-9-3-5-14-11-15(23)7-8-18(14)27/h4,6-8,10-12H,3,5,9H2,1-2H3.
What are the key properties of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone?
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 451.32 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 55916436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).