3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

C21H24N6O — CID 87014914

IUPAC3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1nn(C)c2ncc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc12
InChIInChI=1S/C21H24N6O/c1-14-17-11-15(12-22-20(17)25(2)24-14)13-26-9-7-16(8-10-26)27-19-6-4-3-5-18(19)23-21(27)28/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,23,28)
InChIKeyHWJBZRAKNIMLNO-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.76
Rot. Bonds3

About 3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 87014914) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID87014914
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1nn(C)c2ncc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc12
InChIInChI=1S/C21H24N6O/c1-14-17-11-15(12-22-20(17)25(2)24-14)13-26-9-7-16(8-10-26)27-19-6-4-3-5-18(19)23-21(27)28/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,23,28)
InChIKeyHWJBZRAKNIMLNO-UHFFFAOYSA-N
XLogP2.76
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine
CID 120967699
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 141215819
3-[1-[[4-(6-oxo-2-phenyl-1H-pyrazin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 10152003
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
3-[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126769361
3-[1-[[4-[7-(1-methyltetrazol-5-yl)-3-phenylquinoxalin-2-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21103118
3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968436
3-[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 10476701
3-[1-[[4-(3-oxo-6-phenyl-2H-1,2,4-triazin-5-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 58853495
3-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735754

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 87014914) is 3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is Cc1nn(C)c2ncc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc12.
What is the InChIKey of 3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is HWJBZRAKNIMLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-17-11-15(12-22-20(17)25(2)24-14)13-26-9-7-16(8-10-26)27-19-6-4-3-5-18(19)23-21(27)28/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,23,28).
What are the key properties of 3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 376.46 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 87014914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).