6-[2-(azetidin-3-yl)ethoxy]-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

C30H32N8O2 — CID 134435825

IUPAC6-[2-(azetidin-3-yl)ethoxy]-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(OCCC5CNC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H32N8O2/c1-39-29-5-2-21(13-34-29)16-37-24-8-25(37)18-36(17-24)28-4-3-22(14-33-28)27-9-26(40-7-6-20-11-32-12-20)19-38-30(27)23(10-31)15-35-38/h2-5,9,13-15,19-20,24-25,32H,6-8,11-12,16-18H2,1H3
InChIKeyMFTPSLSUYXPNCQ-UHFFFAOYSA-N
MW536.64 g/mol
LogP3.12
Rot. Bonds9

About 6-[2-(azetidin-3-yl)ethoxy]-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-[2-(azetidin-3-yl)ethoxy]-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 134435825) has the molecular formula C30H32N8O2 and a molecular weight of 536.64 g/mol. Its IUPAC name is 6-[2-(azetidin-3-yl)ethoxy]-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-[2-(azetidin-3-yl)ethoxy]-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 CID134435825
Molecular FormulaC30H32N8O2
Molecular Weight536.64 g/mol
Exact Mass536.26
IUPAC Name6-[2-(azetidin-3-yl)ethoxy]-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(OCCC5CNC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H32N8O2/c1-39-29-5-2-21(13-34-29)16-37-24-8-25(37)18-36(17-24)28-4-3-22(14-33-28)27-9-26(40-7-6-20-11-32-12-20)19-38-30(27)23(10-31)15-35-38/h2-5,9,13-15,19-20,24-25,32H,6-8,11-12,16-18H2,1H3
InChIKeyMFTPSLSUYXPNCQ-UHFFFAOYSA-N
XLogP3.12
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.64
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[2-(azetidin-3-yl)ethoxy]-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(azetidin-3-yl)ethoxy]-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-[2-(azetidin-3-yl)ethoxy]-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 134435825) is 6-[2-(azetidin-3-yl)ethoxy]-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-[2-(azetidin-3-yl)ethoxy]-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-[2-(azetidin-3-yl)ethoxy]-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(OCCC5CNC5)cn5ncc(C#N)c45)cn2)C3)cn1.
What is the InChIKey of 6-[2-(azetidin-3-yl)ethoxy]-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 MFTPSLSUYXPNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O2/c1-39-29-5-2-21(13-34-29)16-37-24-8-25(37)18-36(17-24)28-4-3-22(14-33-28)27-9-26(40-7-6-20-11-32-12-20)19-38-30(27)23(10-31)15-35-38/h2-5,9,13-15,19-20,24-25,32H,6-8,11-12,16-18H2,1H3.
What are the key properties of 6-[2-(azetidin-3-yl)ethoxy]-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-[2-(azetidin-3-yl)ethoxy]-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 536.64 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azetidin-3-yl)ethoxy]-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 134435825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).