N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide

C21H16N6O — CID 18148926

IUPACN-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C21H16N6O/c28-21(25-27-14-23-18-8-4-5-9-19(18)27)17-10-16-12-24-26(20(16)22-11-17)13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H,25,28)
InChIKeyTZYRRPPESLEUGD-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.21
Rot. Bonds4

About N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 18148926) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID18148926
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC NameN-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C21H16N6O/c28-21(25-27-14-23-18-8-4-5-9-19(18)27)17-10-16-12-24-26(20(16)22-11-17)13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H,25,28)
InChIKeyTZYRRPPESLEUGD-UHFFFAOYSA-N
XLogP3.21
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 18148926) is N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide is O=C(Nn1cnc2ccccc21)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is TZYRRPPESLEUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c28-21(25-27-14-23-18-8-4-5-9-19(18)27)17-10-16-12-24-26(20(16)22-11-17)13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H,25,28).
What are the key properties of N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 18148926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).