6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H27N7O2 — CID 134434855

IUPAC6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CC4C[C@H](C3)C4Nc3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H27N7O2/c1-3-36-22-9-23(27-20(10-28)12-31-34(27)16-22)17-4-6-24(29-11-17)33-14-18-8-19(15-33)26(18)32-21-5-7-25(35-2)30-13-21/h4-7,9,11-13,16,18-19,26,32H,3,8,14-15H2,1-2H3/t18-,19?,26?/m1/s1
InChIKeyTWDFGYWDOQTZMM-GDZHNBNXSA-N
MW481.56 g/mol
LogP4.01
Rot. Bonds7

About 6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434855) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434855
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CC4C[C@H](C3)C4Nc3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H27N7O2/c1-3-36-22-9-23(27-20(10-28)12-31-34(27)16-22)17-4-6-24(29-11-17)33-14-18-8-19(15-33)26(18)32-21-5-7-25(35-2)30-13-21/h4-7,9,11-13,16,18-19,26,32H,3,8,14-15H2,1-2H3/t18-,19?,26?/m1/s1
InChIKeyTWDFGYWDOQTZMM-GDZHNBNXSA-N
XLogP4.01
TPSA100.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434855) is 6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CC4C[C@H](C3)C4Nc3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is TWDFGYWDOQTZMM-GDZHNBNXSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-3-36-22-9-23(27-20(10-28)12-31-34(27)16-22)17-4-6-24(29-11-17)33-14-18-8-19(15-33)26(18)32-21-5-7-25(35-2)30-13-21/h4-7,9,11-13,16,18-19,26,32H,3,8,14-15H2,1-2H3/t18-,19?,26?/m1/s1.
What are the key properties of 6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 481.56 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[(5R)-6-[(6-methoxy-3-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).