N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide

C20H22BrN5O2 — CID 10195021

IUPACN-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCOc1cccc(-c2nc3[nH]nc(NC(=O)C4CCN(C)CC4)c3cc2Br)c1
InChIInChI=1S/C20H22BrN5O2/c1-26-8-6-12(7-9-26)20(27)23-19-15-11-16(21)17(22-18(15)24-25-19)13-4-3-5-14(10-13)28-2/h3-5,10-12H,6-9H2,1-2H3,(H2,22,23,24,25,27)
InChIKeyASXXCHCPWOIRLZ-UHFFFAOYSA-N
MW444.33 g/mol
LogP3.68
Rot. Bonds4

About N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide

N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 10195021) has the molecular formula C20H22BrN5O2 and a molecular weight of 444.33 g/mol. Its IUPAC name is N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
PubChem CID10195021
Molecular FormulaC20H22BrN5O2
Molecular Weight444.33 g/mol
Exact Mass443.10
IUPAC NameN-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCOc1cccc(-c2nc3[nH]nc(NC(=O)C4CCN(C)CC4)c3cc2Br)c1
InChIInChI=1S/C20H22BrN5O2/c1-26-8-6-12(7-9-26)20(27)23-19-15-11-16(21)17(22-18(15)24-25-19)13-4-3-5-14(10-13)28-2/h3-5,10-12H,6-9H2,1-2H3,(H2,22,23,24,25,27)
InChIKeyASXXCHCPWOIRLZ-UHFFFAOYSA-N
XLogP3.68
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide 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

N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
CID 10126037
(3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide
CID 101338283
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42686888
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 46183700
N-[4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167792873
N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide
CID 6539613
N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide
CID 69069520
N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208506
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065277
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 169208576
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide (CID 10195021) is N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide is COc1cccc(-c2nc3[nH]nc(NC(=O)C4CCN(C)CC4)c3cc2Br)c1.
What is the InChIKey of N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is ASXXCHCPWOIRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN5O2/c1-26-8-6-12(7-9-26)20(27)23-19-15-11-16(21)17(22-18(15)24-25-19)13-4-3-5-14(10-13)28-2/h3-5,10-12H,6-9H2,1-2H3,(H2,22,23,24,25,27).
What are the key properties of N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide?
N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 444.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 10195021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).