3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine

C22H18N6O — CID 136943076

IUPAC3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESC1=C(c2cc3c(-c4nc5c(-c6ccoc6)cccc5[nH]4)n[nH]c3cn2)CCNC1
InChIInChI=1S/C22H18N6O/c1-2-15(14-6-9-29-12-14)20-17(3-1)25-22(26-20)21-16-10-18(13-4-7-23-8-5-13)24-11-19(16)27-28-21/h1-4,6,9-12,23H,5,7-8H2,(H,25,26)(H,27,28)
InChIKeyJFXQDOBFVSEPIF-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.14
Rot. Bonds3

About 3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine

3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136943076) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID136943076
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESC1=C(c2cc3c(-c4nc5c(-c6ccoc6)cccc5[nH]4)n[nH]c3cn2)CCNC1
InChIInChI=1S/C22H18N6O/c1-2-15(14-6-9-29-12-14)20-17(3-1)25-22(26-20)21-16-10-18(13-4-7-23-8-5-13)24-11-19(16)27-28-21/h1-4,6,9-12,23H,5,7-8H2,(H,25,26)(H,27,28)
InChIKeyJFXQDOBFVSEPIF-UHFFFAOYSA-N
XLogP4.14
TPSA95.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 136943152
3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136944220
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 136943080
3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137115043
1-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol
CID 137291811
cyclobutyl-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]methanol
CID 138578214
2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 136937569
N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137057501
2-(dimethylamino)-N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 136943386
3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137174308
3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136947323
3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 145249460

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine (CID 136943076) is 3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine is C1=C(c2cc3c(-c4nc5c(-c6ccoc6)cccc5[nH]4)n[nH]c3cn2)CCNC1.
What is the InChIKey of 3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is JFXQDOBFVSEPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-2-15(14-6-9-29-12-14)20-17(3-1)25-22(26-20)21-16-10-18(13-4-7-23-8-5-13)24-11-19(16)27-28-21/h1-4,6,9-12,23H,5,7-8H2,(H,25,26)(H,27,28).
What are the key properties of 3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine?
3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 382.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136943076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).