1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine

C24H25N7O — CID 67500488

IUPAC1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine
SMILESCOc1ccc(Cn2nc(C(C)C)c3c(-n4cnc(-c5cnn(C)c5)c4)ccnc32)cc1
InChIInChI=1S/C24H25N7O/c1-16(2)23-22-21(30-14-20(26-15-30)18-11-27-29(3)13-18)9-10-25-24(22)31(28-23)12-17-5-7-19(32-4)8-6-17/h5-11,13-16H,12H2,1-4H3
InChIKeyYIKJJYPYHHYSTP-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.20
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine

1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine (PubChem CID 67500488) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine
PubChem CID67500488
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine
SMILESCOc1ccc(Cn2nc(C(C)C)c3c(-n4cnc(-c5cnn(C)c5)c4)ccnc32)cc1
InChIInChI=1S/C24H25N7O/c1-16(2)23-22-21(30-14-20(26-15-30)18-11-27-29(3)13-18)9-10-25-24(22)31(28-23)12-17-5-7-19(32-4)8-6-17/h5-11,13-16H,12H2,1-4H3
InChIKeyYIKJJYPYHHYSTP-UHFFFAOYSA-N
XLogP4.20
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine (CID 67500488) is 1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine is COc1ccc(Cn2nc(C(C)C)c3c(-n4cnc(-c5cnn(C)c5)c4)ccnc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine?
The InChIKey is YIKJJYPYHHYSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-16(2)23-22-21(30-14-20(26-15-30)18-11-27-29(3)13-18)9-10-25-24(22)31(28-23)12-17-5-7-19(32-4)8-6-17/h5-11,13-16H,12H2,1-4H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine?
1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine has a molecular weight of 427.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 67500488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).