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

C19H20BrN5O — CID 6539581

IUPACN-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3nc(-c4ccccc4)c(Br)cc23)CC1
InChIInChI=1S/C19H20BrN5O/c1-25-9-7-13(8-10-25)19(26)22-18-14-11-15(20)16(21-17(14)23-24-18)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H2,21,22,23,24,26)
InChIKeyMCGWMMNJZVZFCG-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.67
Rot. Bonds3

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

N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide (PubChem CID 6539581) has the molecular formula C19H20BrN5O and a molecular weight of 414.31 g/mol. Its IUPAC name is N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide
PubChem CID6539581
Molecular FormulaC19H20BrN5O
Molecular Weight414.31 g/mol
Exact Mass413.09
IUPAC NameN-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3nc(-c4ccccc4)c(Br)cc23)CC1
InChIInChI=1S/C19H20BrN5O/c1-25-9-7-13(8-10-25)19(26)22-18-14-11-15(20)16(21-17(14)23-24-18)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H2,21,22,23,24,26)
InChIKeyMCGWMMNJZVZFCG-UHFFFAOYSA-N
XLogP3.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-1-ethylpiperidine-4-carboxamide
CID 6539563
N-(5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide
CID 135435015
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
CID 6539535
4-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
CID 6539554
N-{5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}cyclopropanecarboxamide
CID 6539577
N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
CID 6539578
2-methyl-N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}propanamide
CID 6539536
Pyrazolopyridine deriv. 24
CID 6539548
4-(4-ethylpiperazin-1-yl)-N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539556
1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide
CID 6539558
N-{6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}cyclopropanecarboxamide
CID 6539565
N-{5-cyano-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}cyclopropanecarboxamide
CID 6539580

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide (CID 6539581) is N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2n[nH]c3nc(-c4ccccc4)c(Br)cc23)CC1.
What is the InChIKey of N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide?
The InChIKey is MCGWMMNJZVZFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O/c1-25-9-7-13(8-10-25)19(26)22-18-14-11-15(20)16(21-17(14)23-24-18)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H2,21,22,23,24,26).
What are the key properties of N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide?
N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide has a molecular weight of 414.31 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 6539581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).