3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine

C22H21N3O — CID 155555045

IUPAC3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(-c2n[nH]c3ccnc(-c4ccc(C(C)C)cc4)c23)c1
InChIInChI=1S/C22H21N3O/c1-14(2)15-7-9-16(10-8-15)21-20-19(11-12-23-21)24-25-22(20)17-5-4-6-18(13-17)26-3/h4-14H,1-3H3,(H,24,25)
InChIKeyYDJSTMAOSYTQID-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.42
Rot. Bonds4

About 3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine

3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 155555045) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine
PubChem CID155555045
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(-c2n[nH]c3ccnc(-c4ccc(C(C)C)cc4)c23)c1
InChIInChI=1S/C22H21N3O/c1-14(2)15-7-9-16(10-8-15)21-20-19(11-12-23-21)24-25-22(20)17-5-4-6-18(13-17)26-3/h4-14H,1-3H3,(H,24,25)
InChIKeyYDJSTMAOSYTQID-UHFFFAOYSA-N
XLogP5.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine (CID 155555045) is 3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine is COc1cccc(-c2n[nH]c3ccnc(-c4ccc(C(C)C)cc4)c23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is YDJSTMAOSYTQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-14(2)15-7-9-16(10-8-15)21-20-19(11-12-23-21)24-25-22(20)17-5-4-6-18(13-17)26-3/h4-14H,1-3H3,(H,24,25).
What are the key properties of 3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine?
3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 343.43 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 155555045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).