3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile

C22H19N5O3 — CID 167312186

IUPAC3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile
SMILESCOc1cc(Nc2nc(C#N)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC
InChIInChI=1S/C22H19N5O3/c1-28-17-10-14(11-18(29-2)21(17)30-3)24-22-20-16(9-15(12-23)25-22)19(26-27-20)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,24,25)(H,26,27)
InChIKeyQGDXZJBGCQOZLE-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.27
Rot. Bonds6

About 3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile

3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile (PubChem CID 167312186) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile
PubChem CID167312186
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile
SMILESCOc1cc(Nc2nc(C#N)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC
InChIInChI=1S/C22H19N5O3/c1-28-17-10-14(11-18(29-2)21(17)30-3)24-22-20-16(9-15(12-23)25-22)19(26-27-20)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,24,25)(H,26,27)
InChIKeyQGDXZJBGCQOZLE-UHFFFAOYSA-N
XLogP4.27
TPSA105.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile (CID 167312186) is 3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile is COc1cc(Nc2nc(C#N)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC.
What is the InChIKey of 3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile?
The InChIKey is QGDXZJBGCQOZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-28-17-10-14(11-18(29-2)21(17)30-3)24-22-20-16(9-15(12-23)25-22)19(26-27-20)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile?
3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile has a molecular weight of 401.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 167312186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).