1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile

C27H27N7O2 — CID 10184389

IUPAC1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCCCNCc1nccn1-c1ccc(N2CCc3c(C#N)nn(-c4ccc(OC)cc4)c3C2=O)cc1
InChIInChI=1S/C27H27N7O2/c1-3-13-29-18-25-30-14-16-32(25)19-4-6-20(7-5-19)33-15-12-23-24(17-28)31-34(26(23)27(33)35)21-8-10-22(36-2)11-9-21/h4-11,14,16,29H,3,12-13,15,18H2,1-2H3
InChIKeyUYGLZSHDKHGFHH-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.64
Rot. Bonds8

About 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile

1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile (PubChem CID 10184389) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
PubChem CID10184389
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCCCNCc1nccn1-c1ccc(N2CCc3c(C#N)nn(-c4ccc(OC)cc4)c3C2=O)cc1
InChIInChI=1S/C27H27N7O2/c1-3-13-29-18-25-30-14-16-32(25)19-4-6-20(7-5-19)33-15-12-23-24(17-28)31-34(26(23)27(33)35)21-8-10-22(36-2)11-9-21/h4-11,14,16,29H,3,12-13,15,18H2,1-2H3
InChIKeyUYGLZSHDKHGFHH-UHFFFAOYSA-N
XLogP3.64
TPSA101.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile (CID 10184389) is 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile.
What is the SMILES notation for 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The canonical SMILES for 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile is CCCNCc1nccn1-c1ccc(N2CCc3c(C#N)nn(-c4ccc(OC)cc4)c3C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The InChIKey is UYGLZSHDKHGFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-3-13-29-18-25-30-14-16-32(25)19-4-6-20(7-5-19)33-15-12-23-24(17-28)31-34(26(23)27(33)35)21-8-10-22(36-2)11-9-21/h4-11,14,16,29H,3,12-13,15,18H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile has a molecular weight of 481.56 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile is sourced from PubChem (CID 10184389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).