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

C25H24N6 — CID 145249415

IUPAC3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
SMILESCc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)nc45)nc23)c1
InChIInChI=1S/C25H24N6/c1-15-4-2-5-17(14-15)18-6-3-7-20-22(18)29-25(28-20)24-23-21(30-31-24)9-8-19(27-23)16-10-12-26-13-11-16/h2-9,14,16,26H,10-13H2,1H3,(H,28,29)(H,30,31)
InChIKeyKVASOHKZJYECJS-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.94
Rot. Bonds3

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

3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145249415) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
PubChem CID145249415
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
SMILESCc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)nc45)nc23)c1
InChIInChI=1S/C25H24N6/c1-15-4-2-5-17(14-15)18-6-3-7-20-22(18)29-25(28-20)24-23-21(30-31-24)9-8-19(27-23)16-10-12-26-13-11-16/h2-9,14,16,26H,10-13H2,1H3,(H,28,29)(H,30,31)
InChIKeyKVASOHKZJYECJS-UHFFFAOYSA-N
XLogP4.94
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
CID 137038700
3-[7-(3-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137308755
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
2-methyl-N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 158408668
N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 148715668
5-piperidin-4-yl-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137114690
3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137308932
3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 162057990
3-methyl-N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 158581235
N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 147712948
5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109752
3,3-dimethyl-N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 146941927

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine (CID 145249415) is 3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine is Cc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)nc45)nc23)c1.
What is the InChIKey of 3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is KVASOHKZJYECJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6/c1-15-4-2-5-17(14-15)18-6-3-7-20-22(18)29-25(28-20)24-23-21(30-31-24)9-8-19(27-23)16-10-12-26-13-11-16/h2-9,14,16,26H,10-13H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine?
3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 408.51 g/mol, XLogP of 4.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145249415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).