6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H31FN8O2 — CID 134436571

IUPAC6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(F)CN(C)C5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H31FN8O2/c1-36-17-30(31,18-36)19-41-25-8-26(29-22(9-32)12-35-39(29)16-25)21-4-5-27(33-11-21)37-14-23-7-24(15-37)38(23)13-20-3-6-28(40-2)34-10-20/h3-6,8,10-12,16,23-24H,7,13-15,17-19H2,1-2H3
InChIKeyFQPWSNJAGOGAMD-UHFFFAOYSA-N
MW554.63 g/mol
LogP3.17
Rot. Bonds8

About 6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436571) has the molecular formula C30H31FN8O2 and a molecular weight of 554.63 g/mol. Its IUPAC name is 6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436571
Molecular FormulaC30H31FN8O2
Molecular Weight554.63 g/mol
Exact Mass554.26
IUPAC Name6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(F)CN(C)C5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H31FN8O2/c1-36-17-30(31,18-36)19-41-25-8-26(29-22(9-32)12-35-39(29)16-25)21-4-5-27(33-11-21)37-14-23-7-24(15-37)38(23)13-20-3-6-28(40-2)34-10-20/h3-6,8,10-12,16,23-24H,7,13-15,17-19H2,1-2H3
InChIKeyFQPWSNJAGOGAMD-UHFFFAOYSA-N
XLogP3.17
TPSA95.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.63
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436571) is 6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(F)CN(C)C5)cn5ncc(C#N)c45)cn2)C3)cn1.
What is the InChIKey of 6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is FQPWSNJAGOGAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN8O2/c1-36-17-30(31,18-36)19-41-25-8-26(29-22(9-32)12-35-39(29)16-25)21-4-5-27(33-11-21)37-14-23-7-24(15-37)38(23)13-20-3-6-28(40-2)34-10-20/h3-6,8,10-12,16,23-24H,7,13-15,17-19H2,1-2H3.
What are the key properties of 6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 554.63 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).