4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C33H38N8O2 — CID 134435709

IUPAC4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCC5CCN(C)CC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C33H38N8O2/c1-38-10-7-23(8-11-38)9-12-43-29-14-30(33-26(15-34)18-37-41(33)22-29)25-4-5-31(35-17-25)39-20-27-13-28(21-39)40(27)19-24-3-6-32(42-2)36-16-24/h3-6,14,16-18,22-23,27-28H,7-13,19-21H2,1-2H3
InChIKeyHBHWJMVASKPSHO-UHFFFAOYSA-N
MW578.72 g/mol
LogP4.25
Rot. Bonds9

About 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435709) has the molecular formula C33H38N8O2 and a molecular weight of 578.72 g/mol. Its IUPAC name is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435709
Molecular FormulaC33H38N8O2
Molecular Weight578.72 g/mol
Exact Mass578.31
IUPAC Name4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCC5CCN(C)CC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C33H38N8O2/c1-38-10-7-23(8-11-38)9-12-43-29-14-30(33-26(15-34)18-37-41(33)22-29)25-4-5-31(35-17-25)39-20-27-13-28(21-39)40(27)19-24-3-6-32(42-2)36-16-24/h3-6,14,16-18,22-23,27-28H,7-13,19-21H2,1-2H3
InChIKeyHBHWJMVASKPSHO-UHFFFAOYSA-N
XLogP4.25
TPSA95.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.72
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435709) is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCC5CCN(C)CC5)cn5ncc(C#N)c45)cn2)C3)cn1.
What is the InChIKey of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is HBHWJMVASKPSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N8O2/c1-38-10-7-23(8-11-38)9-12-43-29-14-30(33-26(15-34)18-37-41(33)22-29)25-4-5-31(35-17-25)39-20-27-13-28(21-39)40(27)19-24-3-6-32(42-2)36-16-24/h3-6,14,16-18,22-23,27-28H,7-13,19-21H2,1-2H3.
What are the key properties of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 578.72 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).