3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine

C19H14N6 — CID 137109537

IUPAC3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2n1
InChIInChI=1S/C19H14N6/c1-11-8-9-20-10-12(11)13-6-7-16-17(21-13)18(25-24-16)19-22-14-4-2-3-5-15(14)23-19/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyXUUVLFFTLYJTDB-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.87
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine

3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137109537) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID137109537
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2n1
InChIInChI=1S/C19H14N6/c1-11-8-9-20-10-12(11)13-6-7-16-17(21-13)18(25-24-16)19-22-14-4-2-3-5-15(14)23-19/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyXUUVLFFTLYJTDB-UHFFFAOYSA-N
XLogP3.87
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (CID 137109537) is 3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is Cc1ccncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2n1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is XUUVLFFTLYJTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c1-11-8-9-20-10-12(11)13-6-7-16-17(21-13)18(25-24-16)19-22-14-4-2-3-5-15(14)23-19/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 326.36 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137109537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).