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

C33H36N8O2 — CID 169286254

IUPAC6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(C)(C)OC5C5CC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C33H36N8O2/c1-33(2)20-40(32(43-33)22-5-6-22)27-11-28(31-24(12-34)15-37-41(31)19-27)23-7-8-29(35-14-23)38-17-25-10-26(18-38)39(25)16-21-4-9-30(42-3)36-13-21/h4,7-9,11,13-15,19,22,25-26,32H,5-6,10,16-18,20H2,1-3H3
InChIKeySKMYNDYPMNSWDD-UHFFFAOYSA-N
MW576.71 g/mol
LogP4.49
Rot. Bonds7

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

6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 169286254) has the molecular formula C33H36N8O2 and a molecular weight of 576.71 g/mol. Its IUPAC name is 6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID169286254
Molecular FormulaC33H36N8O2
Molecular Weight576.71 g/mol
Exact Mass576.30
IUPAC Name6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(C)(C)OC5C5CC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C33H36N8O2/c1-33(2)20-40(32(43-33)22-5-6-22)27-11-28(31-24(12-34)15-37-41(31)19-27)23-7-8-29(35-14-23)38-17-25-10-26(18-38)39(25)16-21-4-9-30(42-3)36-13-21/h4,7-9,11,13-15,19,22,25-26,32H,5-6,10,16-18,20H2,1-3H3
InChIKeySKMYNDYPMNSWDD-UHFFFAOYSA-N
XLogP4.49
TPSA95.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.71
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 169286254) is 6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(C)(C)OC5C5CC5)cn5ncc(C#N)c45)cn2)C3)cn1.
What is the InChIKey of 6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is SKMYNDYPMNSWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N8O2/c1-33(2)20-40(32(43-33)22-5-6-22)27-11-28(31-24(12-34)15-37-41(31)19-27)23-7-8-29(35-14-23)38-17-25-10-26(18-38)39(25)16-21-4-9-30(42-3)36-13-21/h4,7-9,11,13-15,19,22,25-26,32H,5-6,10,16-18,20H2,1-3H3.
What are the key properties of 6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 576.71 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 169286254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).