2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine

C22H19N5O — CID 86704971

IUPAC2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine
SMILESCCn1nc2cccnc2c1-c1ccc(Oc2nc3ccccc3n2C)cc1
InChIInChI=1S/C22H19N5O/c1-3-27-21(20-18(25-27)8-6-14-23-20)15-10-12-16(13-11-15)28-22-24-17-7-4-5-9-19(17)26(22)2/h4-14H,3H2,1-2H3
InChIKeyRKMRNMWHNNBHTA-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.80
Rot. Bonds4

About 2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine

2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine (PubChem CID 86704971) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine
PubChem CID86704971
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine
SMILESCCn1nc2cccnc2c1-c1ccc(Oc2nc3ccccc3n2C)cc1
InChIInChI=1S/C22H19N5O/c1-3-27-21(20-18(25-27)8-6-14-23-20)15-10-12-16(13-11-15)28-22-24-17-7-4-5-9-19(17)26(22)2/h4-14H,3H2,1-2H3
InChIKeyRKMRNMWHNNBHTA-UHFFFAOYSA-N
XLogP4.80
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine?
The IUPAC name of 2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine (CID 86704971) is 2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine?
The canonical SMILES for 2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine is CCn1nc2cccnc2c1-c1ccc(Oc2nc3ccccc3n2C)cc1.
What is the InChIKey of 2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine?
The InChIKey is RKMRNMWHNNBHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-3-27-21(20-18(25-27)8-6-14-23-20)15-10-12-16(13-11-15)28-22-24-17-7-4-5-9-19(17)26(22)2/h4-14H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine?
2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine has a molecular weight of 369.43 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 86704971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).