6-ethoxy-4-[6-[(5R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H23N7O2 — CID 134436145

IUPAC6-ethoxy-4-[6-[(5R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CC4C[C@H](C3)C4Oc3ncccn3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C25H23N7O2/c1-2-33-20-9-21(23-19(10-26)12-30-32(23)15-20)16-4-5-22(29-11-16)31-13-17-8-18(14-31)24(17)34-25-27-6-3-7-28-25/h3-7,9,11-12,15,17-18,24H,2,8,13-14H2,1H3/t17-,18?,24?/m1/s1
InChIKeyVQVKFLPDTDQJHF-MDPMHESRSA-N
MW453.51 g/mol
LogP3.36
Rot. Bonds6

About 6-ethoxy-4-[6-[(5R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[(5R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436145) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[(5R)-6-pyrimidin-2-yloxy-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-pyrimidin-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436145
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name6-ethoxy-4-[6-[(5R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CC4C[C@H](C3)C4Oc3ncccn3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C25H23N7O2/c1-2-33-20-9-21(23-19(10-26)12-30-32(23)15-20)16-4-5-22(29-11-16)31-13-17-8-18(14-31)24(17)34-25-27-6-3-7-28-25/h3-7,9,11-12,15,17-18,24H,2,8,13-14H2,1H3/t17-,18?,24?/m1/s1
InChIKeyVQVKFLPDTDQJHF-MDPMHESRSA-N
XLogP3.36
TPSA101.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-ethoxy-4-[6-[(5R)-6-pyrimidin-2-yloxy-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-pyrimidin-2-yloxy-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-pyrimidin-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436145) is 6-ethoxy-4-[6-[(5R)-6-pyrimidin-2-yloxy-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-pyrimidin-2-yloxy-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-pyrimidin-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CC4C[C@H](C3)C4Oc3ncccn3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-[(5R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VQVKFLPDTDQJHF-MDPMHESRSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-2-33-20-9-21(23-19(10-26)12-30-32(23)15-20)16-4-5-22(29-11-16)31-13-17-8-18(14-31)24(17)34-25-27-6-3-7-28-25/h3-7,9,11-12,15,17-18,24H,2,8,13-14H2,1H3/t17-,18?,24?/m1/s1.
What are the key properties of 6-ethoxy-4-[6-[(5R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[(5R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 453.51 g/mol, XLogP of 3.36, 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-[(5R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).