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

C27H27N7O2 — CID 134436812

IUPAC6-ethoxy-4-[6-[(1S,4S)-5-[(6-methoxy-3-pyridinyl)methyl]-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]3CN4Cc3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H27N7O2/c1-3-36-23-9-24(27-20(10-28)13-31-34(27)17-23)19-5-6-25(29-12-19)33-16-21-8-22(33)15-32(21)14-18-4-7-26(35-2)30-11-18/h4-7,9,11-13,17,21-22H,3,8,14-16H2,1-2H3/t21-,22-/m0/s1
InChIKeyIWQRLPURPDXYSK-VXKWHMMOSA-N
MW481.56 g/mol
LogP3.53
Rot. Bonds7

About 6-ethoxy-4-[6-[(1S,4S)-5-[(6-methoxy-3-pyridinyl)methyl]-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)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436812) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[(1S,4S)-5-[(6-methoxy-3-pyridinyl)methyl]-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)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436812
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name6-ethoxy-4-[6-[(1S,4S)-5-[(6-methoxy-3-pyridinyl)methyl]-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]3CN4Cc3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H27N7O2/c1-3-36-23-9-24(27-20(10-28)13-31-34(27)17-23)19-5-6-25(29-12-19)33-16-21-8-22(33)15-32(21)14-18-4-7-26(35-2)30-11-18/h4-7,9,11-13,17,21-22H,3,8,14-16H2,1-2H3/t21-,22-/m0/s1
InChIKeyIWQRLPURPDXYSK-VXKWHMMOSA-N
XLogP3.53
TPSA91.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-ethoxy-4-[6-[(1S,4S)-5-[(6-methoxy-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-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-[(1S,4S)-5-[(6-methoxy-3-pyridinyl)methyl]-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)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436812) is 6-ethoxy-4-[6-[(1S,4S)-5-[(6-methoxy-3-pyridinyl)methyl]-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)methyl]-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)methyl]-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]3CN4Cc3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-[(1S,4S)-5-[(6-methoxy-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is IWQRLPURPDXYSK-VXKWHMMOSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-3-36-23-9-24(27-20(10-28)13-31-34(27)17-23)19-5-6-25(29-12-19)33-16-21-8-22(33)15-32(21)14-18-4-7-26(35-2)30-11-18/h4-7,9,11-13,17,21-22H,3,8,14-16H2,1-2H3/t21-,22-/m0/s1.
What are the key properties of 6-ethoxy-4-[6-[(1S,4S)-5-[(6-methoxy-3-pyridinyl)methyl]-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)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 481.56 g/mol, XLogP of 3.53, 7 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)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).