4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile

C28H29N9O2 — CID 155180882

IUPAC4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C28H29N9O2/c1-38-27-3-2-19(11-32-27)15-36-22-8-23(36)17-35(16-22)26-14-30-25(13-31-26)24-9-21(34-4-6-39-7-5-34)18-37-28(24)20(10-29)12-33-37/h2-3,9,11-14,18,22-23H,4-8,15-17H2,1H3
InChIKeyXGKGZDLFUSVWLN-UHFFFAOYSA-N
MW523.60 g/mol
LogP2.37
Rot. Bonds6

About 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile

4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155180882) has the molecular formula C28H29N9O2 and a molecular weight of 523.60 g/mol. Its IUPAC name is 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155180882
Molecular FormulaC28H29N9O2
Molecular Weight523.60 g/mol
Exact Mass523.24
IUPAC Name4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C28H29N9O2/c1-38-27-3-2-19(11-32-27)15-36-22-8-23(36)17-35(16-22)26-14-30-25(13-31-26)24-9-21(34-4-6-39-7-5-34)18-37-28(24)20(10-29)12-33-37/h2-3,9,11-14,18,22-23H,4-8,15-17H2,1H3
InChIKeyXGKGZDLFUSVWLN-UHFFFAOYSA-N
XLogP2.37
TPSA107.94 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.60
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155180882) is 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1.
What is the InChIKey of 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is XGKGZDLFUSVWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N9O2/c1-38-27-3-2-19(11-32-27)15-36-22-8-23(36)17-35(16-22)26-14-30-25(13-31-26)24-9-21(34-4-6-39-7-5-34)18-37-28(24)20(10-29)12-33-37/h2-3,9,11-14,18,22-23H,4-8,15-17H2,1H3.
What are the key properties of 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 523.60 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155180882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).