[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone

C28H30N6O2 — CID 55497689

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1cc(-c2cc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C28H30N6O2/c1-16(2)34-27-22(14-29-34)21(13-25(32-27)20-12-17(3)36-18(20)4)28(35)33-11-7-8-19(15-33)26-30-23-9-5-6-10-24(23)31-26/h5-6,9-10,12-14,16,19H,7-8,11,15H2,1-4H3,(H,30,31)
InChIKeyIIPVSZMONYUNBV-UHFFFAOYSA-N
MW482.59 g/mol
LogP5.79
Rot. Bonds4

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 55497689) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID55497689
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1cc(-c2cc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C28H30N6O2/c1-16(2)34-27-22(14-29-34)21(13-25(32-27)20-12-17(3)36-18(20)4)28(35)33-11-7-8-19(15-33)26-30-23-9-5-6-10-24(23)31-26/h5-6,9-10,12-14,16,19H,7-8,11,15H2,1-4H3,(H,30,31)
InChIKeyIIPVSZMONYUNBV-UHFFFAOYSA-N
XLogP5.79
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone with MolForge

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Related Compounds

N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide
CID 43040476
[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 55487028
[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918933
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 40973368
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770
[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119594956
2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 78835364
[3-(methylamino)piperidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 119491906
6-(2,5-dimethylfuran-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112807922
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26246644
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone
CID 95861103

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (CID 55497689) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is Cc1cc(-c2cc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is IIPVSZMONYUNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-16(2)34-27-22(14-29-34)21(13-25(32-27)20-12-17(3)36-18(20)4)28(35)33-11-7-8-19(15-33)26-30-23-9-5-6-10-24(23)31-26/h5-6,9-10,12-14,16,19H,7-8,11,15H2,1-4H3,(H,30,31).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 482.59 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 55497689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).