2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide

C29H30N8O3 — CID 134436844

IUPAC2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(=O)N(C)C)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C29H30N8O3/c1-34(2)28(38)18-40-24-9-25(29-21(10-30)13-33-37(29)17-24)20-5-6-26(31-12-20)35-15-22-8-23(16-35)36(22)14-19-4-7-27(39-3)32-11-19/h4-7,9,11-13,17,22-23H,8,14-16,18H2,1-3H3
InChIKeyGGWLFQPGXXVLTH-UHFFFAOYSA-N
MW538.61 g/mol
LogP2.60
Rot. Bonds8

About 2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide

2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide (PubChem CID 134436844) has the molecular formula C29H30N8O3 and a molecular weight of 538.61 g/mol. Its IUPAC name is 2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide
PubChem CID134436844
Molecular FormulaC29H30N8O3
Molecular Weight538.61 g/mol
Exact Mass538.24
IUPAC Name2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(=O)N(C)C)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C29H30N8O3/c1-34(2)28(38)18-40-24-9-25(29-21(10-30)13-33-37(29)17-24)20-5-6-26(31-12-20)35-15-22-8-23(16-35)36(22)14-19-4-7-27(39-3)32-11-19/h4-7,9,11-13,17,22-23H,8,14-16,18H2,1-3H3
InChIKeyGGWLFQPGXXVLTH-UHFFFAOYSA-N
XLogP2.60
TPSA112.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.61
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide (CID 134436844) is 2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(=O)N(C)C)cn5ncc(C#N)c45)cn2)C3)cn1.
What is the InChIKey of 2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide?
The InChIKey is GGWLFQPGXXVLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O3/c1-34(2)28(38)18-40-24-9-25(29-21(10-30)13-33-37(29)17-24)20-5-6-26(31-12-20)35-15-22-8-23(16-35)36(22)14-19-4-7-27(39-3)32-11-19/h4-7,9,11-13,17,22-23H,8,14-16,18H2,1-3H3.
What are the key properties of 2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide?
2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide has a molecular weight of 538.61 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 134436844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).