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

C31H34N8O2 — CID 134436618

IUPAC4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCN5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C31H34N8O2/c1-40-30-7-4-22(15-34-30)18-38-25-12-26(38)20-37(19-25)29-6-5-23(16-33-29)28-13-27(41-11-10-36-8-2-3-9-36)21-39-31(28)24(14-32)17-35-39/h4-7,13,15-17,21,25-26H,2-3,8-12,18-20H2,1H3
InChIKeyVUZRWSOBEMNUJE-UHFFFAOYSA-N
MW550.67 g/mol
LogP3.61
Rot. Bonds9

About 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-pyrrolidin-1-ylethoxy)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-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436618) has the molecular formula C31H34N8O2 and a molecular weight of 550.67 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-pyrrolidin-1-ylethoxy)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-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436618
Molecular FormulaC31H34N8O2
Molecular Weight550.67 g/mol
Exact Mass550.28
IUPAC Name4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCN5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C31H34N8O2/c1-40-30-7-4-22(15-34-30)18-38-25-12-26(38)20-37(19-25)29-6-5-23(16-33-29)28-13-27(41-11-10-36-8-2-3-9-36)21-39-31(28)24(14-32)17-35-39/h4-7,13,15-17,21,25-26H,2-3,8-12,18-20H2,1H3
InChIKeyVUZRWSOBEMNUJE-UHFFFAOYSA-N
XLogP3.61
TPSA95.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.67
LogP ≤ 53.61
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-pyrrolidin-1-ylethoxy)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-pyrrolidin-1-ylethoxy)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-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436618) is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-pyrrolidin-1-ylethoxy)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-pyrrolidin-1-ylethoxy)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-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCN5CCCC5)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-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VUZRWSOBEMNUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O2/c1-40-30-7-4-22(15-34-30)18-38-25-12-26(38)20-37(19-25)29-6-5-23(16-33-29)28-13-27(41-11-10-36-8-2-3-9-36)21-39-31(28)24(14-32)17-35-39/h4-7,13,15-17,21,25-26H,2-3,8-12,18-20H2,1H3.
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-pyrrolidin-1-ylethoxy)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-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 550.67 g/mol, XLogP of 3.61, 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-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).