4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine

C23H24N4O — CID 173164263

IUPAC4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESCOc1ccc(C(C)(C)C)cc1-c1ccc(-c2nccc3[nH]nc(N)c23)cc1
InChIInChI=1S/C23H24N4O/c1-23(2,3)16-9-10-19(28-4)17(13-16)14-5-7-15(8-6-14)21-20-18(11-12-25-21)26-27-22(20)24/h5-13H,1-4H3,(H3,24,26,27)
InChIKeyCBYAYBMISDLAFE-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.18
Rot. Bonds3

About 4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine

4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 173164263) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine
PubChem CID173164263
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESCOc1ccc(C(C)(C)C)cc1-c1ccc(-c2nccc3[nH]nc(N)c23)cc1
InChIInChI=1S/C23H24N4O/c1-23(2,3)16-9-10-19(28-4)17(13-16)14-5-7-15(8-6-14)21-20-18(11-12-25-21)26-27-22(20)24/h5-13H,1-4H3,(H3,24,26,27)
InChIKeyCBYAYBMISDLAFE-UHFFFAOYSA-N
XLogP5.18
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine (CID 173164263) is 4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine is COc1ccc(C(C)(C)C)cc1-c1ccc(-c2nccc3[nH]nc(N)c23)cc1.
What is the InChIKey of 4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is CBYAYBMISDLAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-23(2,3)16-9-10-19(28-4)17(13-16)14-5-7-15(8-6-14)21-20-18(11-12-25-21)26-27-22(20)24/h5-13H,1-4H3,(H3,24,26,27).
What are the key properties of 4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine?
4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 372.47 g/mol, XLogP of 5.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 173164263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).