1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide

C27H18N8O2 — CID 166188460

IUPAC1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2nc3ccccc3[nH]2)c2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc12
InChIInChI=1S/C27H18N8O2/c1-16-21-12-18(14-30-25(21)35(34-16)27-32-22-4-2-3-5-23(22)33-27)26(36)31-19-8-11-24(29-15-19)37-20-9-6-17(13-28)7-10-20/h2-12,14-15H,1H3,(H,31,36)(H,32,33)
InChIKeyOBGDOBKYBRXYLJ-UHFFFAOYSA-N
MW486.50 g/mol
LogP4.92
Rot. Bonds5

About 1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide

1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 166188460) has the molecular formula C27H18N8O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID166188460
Molecular FormulaC27H18N8O2
Molecular Weight486.50 g/mol
Exact Mass486.16
IUPAC Name1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2nc3ccccc3[nH]2)c2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc12
InChIInChI=1S/C27H18N8O2/c1-16-21-12-18(14-30-25(21)35(34-16)27-32-22-4-2-3-5-23(22)33-27)26(36)31-19-8-11-24(29-15-19)37-20-9-6-17(13-28)7-10-20/h2-12,14-15H,1H3,(H,31,36)(H,32,33)
InChIKeyOBGDOBKYBRXYLJ-UHFFFAOYSA-N
XLogP4.92
TPSA134.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 166188460) is 1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(-c2nc3ccccc3[nH]2)c2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc12.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is OBGDOBKYBRXYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N8O2/c1-16-21-12-18(14-30-25(21)35(34-16)27-32-22-4-2-3-5-23(22)33-27)26(36)31-19-8-11-24(29-15-19)37-20-9-6-17(13-28)7-10-20/h2-12,14-15H,1H3,(H,31,36)(H,32,33).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide?
1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166188460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).