6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H25N7O2 — CID 134436617

IUPAC6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3C[C@@H]4C[C@H]3CN4c3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H25N7O2/c1-3-35-22-9-23(26-18(10-27)12-30-33(26)16-22)17-4-6-24(28-11-17)32-15-20-8-21(32)14-31(20)19-5-7-25(34-2)29-13-19/h4-7,9,11-13,16,20-21H,3,8,14-15H2,1-2H3/t20-,21-/m0/s1
InChIKeyIVZYNAXHEFAZNU-SFTDATJTSA-N
MW467.53 g/mol
LogP3.54
Rot. Bonds6

About 6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436617) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436617
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3C[C@@H]4C[C@H]3CN4c3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H25N7O2/c1-3-35-22-9-23(26-18(10-27)12-30-33(26)16-22)17-4-6-24(28-11-17)32-15-20-8-21(32)14-31(20)19-5-7-25(34-2)29-13-19/h4-7,9,11-13,16,20-21H,3,8,14-15H2,1-2H3/t20-,21-/m0/s1
InChIKeyIVZYNAXHEFAZNU-SFTDATJTSA-N
XLogP3.54
TPSA91.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436617) is 6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3C[C@@H]4C[C@H]3CN4c3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is IVZYNAXHEFAZNU-SFTDATJTSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-3-35-22-9-23(26-18(10-27)12-30-33(26)16-22)17-4-6-24(28-11-17)32-15-20-8-21(32)14-31(20)19-5-7-25(34-2)29-13-19/h4-7,9,11-13,16,20-21H,3,8,14-15H2,1-2H3/t20-,21-/m0/s1.
What are the key properties of 6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 467.53 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).