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

C30H29N9O2 — CID 134436634

IUPAC4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCc5nccn5C)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H29N9O2/c1-36-8-7-32-28(36)19-41-25-10-26(30-22(11-31)14-35-39(30)18-25)21-4-5-27(33-13-21)37-16-23-9-24(17-37)38(23)15-20-3-6-29(40-2)34-12-20/h3-8,10,12-14,18,23-24H,9,15-17,19H2,1-2H3
InChIKeyLJKNVZLPCIAIFL-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-[(1-methylimidazol-2-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-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436634) 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-[(1-methylimidazol-2-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-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436634
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-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCc5nccn5C)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H29N9O2/c1-36-8-7-32-28(36)19-41-25-10-26(30-22(11-31)14-35-39(30)18-25)21-4-5-27(33-13-21)37-16-23-9-24(17-37)38(23)15-20-3-6-29(40-2)34-12-20/h3-8,10,12-14,18,23-24H,9,15-17,19H2,1-2H3
InChIKeyLJKNVZLPCIAIFL-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-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(1-methylimidazol-2-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-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436634) is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(1-methylimidazol-2-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-[(1-methylimidazol-2-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-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCc5nccn5C)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-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is LJKNVZLPCIAIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N9O2/c1-36-8-7-32-28(36)19-41-25-10-26(30-22(11-31)14-35-39(30)18-25)21-4-5-27(33-13-21)37-16-23-9-24(17-37)38(23)15-20-3-6-29(40-2)34-12-20/h3-8,10,12-14,18,23-24H,9,15-17,19H2,1-2H3.
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-[(1-methylimidazol-2-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-[(1-methylimidazol-2-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-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).