methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate

C36H32Br2N8O5 — CID 158195458

IUPACmethyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cccc(Br)c2)c2ncc(C3CN(C(C)=O)C3)cc12.COC(=O)c1nn(-c2cccc(Br)c2)c2ncc(C3CNC3)cc12
InChIInChI=1S/C19H17BrN4O3.C17H15BrN4O2/c1-11(25)23-9-13(10-23)12-6-16-17(19(26)27-2)22-24(18(16)21-8-12)15-5-3-4-14(20)7-15;1-24-17(23)15-14-5-10(11-7-19-8-11)9-20-16(14)22(21-15)13-4-2-3-12(18)6-13/h3-8,13H,9-10H2,1-2H3;2-6,9,11,19H,7-8H2,1H3
InChIKeyGAHCOQDCVVCJPF-UHFFFAOYSA-N
MW816.51 g/mol
LogP5.57
Rot. Bonds6

About methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate

methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 158195458) has the molecular formula C36H32Br2N8O5 and a molecular weight of 816.51 g/mol. Its IUPAC name is methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID158195458
Molecular FormulaC36H32Br2N8O5
Molecular Weight816.51 g/mol
Exact Mass814.09
IUPAC Namemethyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cccc(Br)c2)c2ncc(C3CN(C(C)=O)C3)cc12.COC(=O)c1nn(-c2cccc(Br)c2)c2ncc(C3CNC3)cc12
InChIInChI=1S/C19H17BrN4O3.C17H15BrN4O2/c1-11(25)23-9-13(10-23)12-6-16-17(19(26)27-2)22-24(18(16)21-8-12)15-5-3-4-14(20)7-15;1-24-17(23)15-14-5-10(11-7-19-8-11)9-20-16(14)22(21-15)13-4-2-3-12(18)6-13/h3-8,13H,9-10H2,1-2H3;2-6,9,11,19H,7-8H2,1H3
InChIKeyGAHCOQDCVVCJPF-UHFFFAOYSA-N
XLogP5.57
TPSA146.36 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.51
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate 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

2-(3-Bromophenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 117911993
Methyl 1-(3-bromophenyl)-5-cyclopropyl-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 117923697
Methyl 1-(3-bromophenyl)-5-(1-tert-butoxycarbonylazetidin-3-yl)pyrazolo[3,4-b]pyridine-3-carboxylate
CID 117923742
Methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[3,4-b]pyridine-3-carboxylate
CID 117923747
Methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[3,4-b]pyridine-3-carboxylate
CID 117923814
methyl 1-(3-bromophenyl)-5-(1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 117923846
Methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 117935316
Methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate
CID 123456430
1-(3-Bromophenyl)-4-[6-(3-methoxypropylamino)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743113
Ethyl 1-(3-bromophenyl)-4-[6-(3-methoxypropylamino)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743802
Ethyl 1-(3-bromophenyl)-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743805
methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate
CID 137495138

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate (CID 158195458) is methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate is COC(=O)c1nn(-c2cccc(Br)c2)c2ncc(C3CN(C(C)=O)C3)cc12.COC(=O)c1nn(-c2cccc(Br)c2)c2ncc(C3CNC3)cc12.
What is the InChIKey of methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is GAHCOQDCVVCJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O3.C17H15BrN4O2/c1-11(25)23-9-13(10-23)12-6-16-17(19(26)27-2)22-24(18(16)21-8-12)15-5-3-4-14(20)7-15;1-24-17(23)15-14-5-10(11-7-19-8-11)9-20-16(14)22(21-15)13-4-2-3-12(18)6-13/h3-8,13H,9-10H2,1-2H3;2-6,9,11,19H,7-8H2,1H3.
What are the key properties of methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 816.51 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-acetylazetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 5-(azetidin-3-yl)-1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 158195458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).