N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine

C21H24N8 — CID 156846880

IUPACN-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine
SMILESc1ccc2[nH]c(CNc3nn(C4CCNCC4)c4nc(C5CC5)cnc34)nc2c1
InChIInChI=1S/C21H24N8/c1-2-4-16-15(3-1)25-18(26-16)12-24-20-19-21(27-17(11-23-19)13-5-6-13)29(28-20)14-7-9-22-10-8-14/h1-4,11,13-14,22H,5-10,12H2,(H,24,28)(H,25,26)
InChIKeyUYUGPJZNOWXJBU-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.12
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine

N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine (PubChem CID 156846880) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine
PubChem CID156846880
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine
SMILESc1ccc2[nH]c(CNc3nn(C4CCNCC4)c4nc(C5CC5)cnc34)nc2c1
InChIInChI=1S/C21H24N8/c1-2-4-16-15(3-1)25-18(26-16)12-24-20-19-21(27-17(11-23-19)13-5-6-13)29(28-20)14-7-9-22-10-8-14/h1-4,11,13-14,22H,5-10,12H2,(H,24,28)(H,25,26)
InChIKeyUYUGPJZNOWXJBU-UHFFFAOYSA-N
XLogP3.12
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-(oxolan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine
CID 156846867
6-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
CID 156846842
6-cyclopropyl-N-[(5-fluoro-4-methyl-1H-benzimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
CID 156846901
6-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
CID 156846826
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117089912
N-(1H-benzimidazol-2-ylmethyl)-9-cyclopentyl-2-morpholin-4-ylpurin-6-amine
CID 50930765
6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117085764
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
N-(1H-benzimidazol-2-ylmethyl)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-9-propan-2-ylpurin-6-amine
CID 117083276
4-[6-(1H-benzimidazol-2-ylmethylamino)-9-cyclohexylpurin-2-yl]-N-cyclopropylbenzamide
CID 117081549
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine (CID 156846880) is N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine is c1ccc2[nH]c(CNc3nn(C4CCNCC4)c4nc(C5CC5)cnc34)nc2c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine?
The InChIKey is UYUGPJZNOWXJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/c1-2-4-16-15(3-1)25-18(26-16)12-24-20-19-21(27-17(11-23-19)13-5-6-13)29(28-20)14-7-9-22-10-8-14/h1-4,11,13-14,22H,5-10,12H2,(H,24,28)(H,25,26).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine?
N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine has a molecular weight of 388.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 156846880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).