N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide

C19H22BrN5OS — CID 6539614

IUPACN-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)Nc2n[nH]c3nc(-c4cccs4)c(Br)cc23)CC1
InChIInChI=1S/C19H22BrN5OS/c1-2-25-7-5-12(6-8-25)10-16(26)21-18-13-11-14(20)17(15-4-3-9-27-15)22-19(13)24-23-18/h3-4,9,11-12H,2,5-8,10H2,1H3,(H2,21,22,23,24,26)
InChIKeyGHOXGYVOJHFBKS-UHFFFAOYSA-N
MW448.39 g/mol
LogP4.51
Rot. Bonds5

About N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide

N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 6539614) has the molecular formula C19H22BrN5OS and a molecular weight of 448.39 g/mol. Its IUPAC name is N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide
PubChem CID6539614
Molecular FormulaC19H22BrN5OS
Molecular Weight448.39 g/mol
Exact Mass447.07
IUPAC NameN-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)Nc2n[nH]c3nc(-c4cccs4)c(Br)cc23)CC1
InChIInChI=1S/C19H22BrN5OS/c1-2-25-7-5-12(6-8-25)10-16(26)21-18-13-11-14(20)17(15-4-3-9-27-15)22-19(13)24-23-18/h3-4,9,11-12H,2,5-8,10H2,1H3,(H2,21,22,23,24,26)
InChIKeyGHOXGYVOJHFBKS-UHFFFAOYSA-N
XLogP4.51
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}-1-methylpiperidine-4-carboxamide
CID 6539581
N-[5-bromo-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539588
N-[5-bromo-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide
CID 6539591
N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 44450492
1-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 110237513
N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide;2,3-dihydroxybutanedioic acid
CID 70696859
1-[(3~{S})-3-(2~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone
CID 92445134
3-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-(thiophen-2-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135658916
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 55975816
N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 56604026
1-[4-[7-Amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propan-1-one
CID 70214121
(5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 110237526

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide (CID 6539614) is N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(CC(=O)Nc2n[nH]c3nc(-c4cccs4)c(Br)cc23)CC1.
What is the InChIKey of N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is GHOXGYVOJHFBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5OS/c1-2-25-7-5-12(6-8-25)10-16(26)21-18-13-11-14(20)17(15-4-3-9-27-15)22-19(13)24-23-18/h3-4,9,11-12H,2,5-8,10H2,1H3,(H2,21,22,23,24,26).
What are the key properties of N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide?
N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 448.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 6539614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).