9-[(6-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 11338527

IUPAC9-[(6-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
SMILESCc1cccc(COc2nn3c(-c4cnccn4)nnc3c3c2C2CCC3CC2)n1
InChIInChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3
InChIKeyICYHTUKXCNYVRM-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.62
Rot. Bonds4

About 9-[(6-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-[(6-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 11338527) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 9-[(6-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-[(6-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 CID11338527
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name9-[(6-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
SMILESCc1cccc(COc2nn3c(-c4cnccn4)nnc3c3c2C2CCC3CC2)n1
InChIInChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3
InChIKeyICYHTUKXCNYVRM-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-[(6-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-[(6-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-[(6-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 11338527) is 9-[(6-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-[(6-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-[(6-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 Cc1cccc(COc2nn3c(-c4cnccn4)nnc3c3c2C2CCC3CC2)n1.
What is the InChIKey of 9-[(6-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 ICYHTUKXCNYVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3.
What are the key properties of 9-[(6-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-[(6-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-[(6-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 11338527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).