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

C30H29N9O2 — CID 134436577

IUPAC4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCc5cncn5C)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H29N9O2/c1-36-19-32-13-25(36)18-41-26-8-27(30-22(9-31)12-35-39(30)17-26)21-4-5-28(33-11-21)37-15-23-7-24(16-37)38(23)14-20-3-6-29(40-2)34-10-20/h3-6,8,10-13,17,19,23-24H,7,14-16,18H2,1-2H3
InChIKeyUHVDBJPXGVMWQI-UHFFFAOYSA-N
MW547.62 g/mol
LogP3.45
Rot. Bonds8

About 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylimidazol-4-yl)methoxy]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-[(3-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436577) has the molecular formula C30H29N9O2 and a molecular weight of 547.62 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-[(3-methylimidazol-4-yl)methoxy]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-[(3-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436577
Molecular FormulaC30H29N9O2
Molecular Weight547.62 g/mol
Exact Mass547.24
IUPAC Name4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCc5cncn5C)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H29N9O2/c1-36-19-32-13-25(36)18-41-26-8-27(30-22(9-31)12-35-39(30)17-26)21-4-5-28(33-11-21)37-15-23-7-24(16-37)38(23)14-20-3-6-29(40-2)34-10-20/h3-6,8,10-13,17,19,23-24H,7,14-16,18H2,1-2H3
InChIKeyUHVDBJPXGVMWQI-UHFFFAOYSA-N
XLogP3.45
TPSA109.63 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.62
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylimidazol-4-yl)methoxy]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-[(3-methylimidazol-4-yl)methoxy]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-[(3-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436577) is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylimidazol-4-yl)methoxy]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-[(3-methylimidazol-4-yl)methoxy]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-[(3-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCc5cncn5C)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-[(3-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is UHVDBJPXGVMWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N9O2/c1-36-19-32-13-25(36)18-41-26-8-27(30-22(9-31)12-35-39(30)17-26)21-4-5-28(33-11-21)37-15-23-7-24(16-37)38(23)14-20-3-6-29(40-2)34-10-20/h3-6,8,10-13,17,19,23-24H,7,14-16,18H2,1-2H3.
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-[(3-methylimidazol-4-yl)methoxy]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-[(3-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 547.62 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 11 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-[(3-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).