9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene

C22H21N7O — CID 18413918

IUPAC9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESCc1cccnc1COc1nn2c(-c3cnccn3)nnc2c2c1C1CCC2CC1
InChIInChI=1S/C22H21N7O/c1-13-3-2-8-24-17(13)12-30-22-19-15-6-4-14(5-7-15)18(19)21-27-26-20(29(21)28-22)16-11-23-9-10-25-16/h2-3,8-11,14-15H,4-7,12H2,1H3
InChIKeyOPQQZNDXGKEUBB-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.62
Rot. Bonds4

About 9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene

9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (PubChem CID 18413918) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene.

Molecular Properties

Compound Name9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
PubChem CID18413918
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESCc1cccnc1COc1nn2c(-c3cnccn3)nnc2c2c1C1CCC2CC1
InChIInChI=1S/C22H21N7O/c1-13-3-2-8-24-17(13)12-30-22-19-15-6-4-14(5-7-15)18(19)21-27-26-20(29(21)28-22)16-11-23-9-10-25-16/h2-3,8-11,14-15H,4-7,12H2,1H3
InChIKeyOPQQZNDXGKEUBB-UHFFFAOYSA-N
XLogP3.62
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The IUPAC name of 9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (CID 18413918) is 9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene.
What is the SMILES notation for 9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The canonical SMILES for 9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene is Cc1cccnc1COc1nn2c(-c3cnccn3)nnc2c2c1C1CCC2CC1.
What is the InChIKey of 9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The InChIKey is OPQQZNDXGKEUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-13-3-2-8-24-17(13)12-30-22-19-15-6-4-14(5-7-15)18(19)21-27-26-20(29(21)28-22)16-11-23-9-10-25-16/h2-3,8-11,14-15H,4-7,12H2,1H3.
What are the key properties of 9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene has a molecular weight of 399.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-methyl-2-pyridinyl)methoxy]-6-pyrazin-2-yl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene is sourced from PubChem (CID 18413918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).