5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene

C19H18N6 — CID 67549598

IUPAC5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene
SMILESCc1ncn2c1Cn1nc(Cc3cccn3C)nc1-c1ccccc1-2
InChIInChI=1S/C19H18N6/c1-13-17-11-25-19(15-7-3-4-8-16(15)24(17)12-20-13)21-18(22-25)10-14-6-5-9-23(14)2/h3-9,12H,10-11H2,1-2H3
InChIKeyOXMXNQZVFCRIAU-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.73
Rot. Bonds2

About 5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene

5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene (PubChem CID 67549598) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene.

Molecular Properties

Compound Name5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene
PubChem CID67549598
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene
SMILESCc1ncn2c1Cn1nc(Cc3cccn3C)nc1-c1ccccc1-2
InChIInChI=1S/C19H18N6/c1-13-17-11-25-19(15-7-3-4-8-16(15)24(17)12-20-13)21-18(22-25)10-14-6-5-9-23(14)2/h3-9,12H,10-11H2,1-2H3
InChIKeyOXMXNQZVFCRIAU-UHFFFAOYSA-N
XLogP2.73
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene?
The IUPAC name of 5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene (CID 67549598) is 5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene.
What is the SMILES notation for 5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene?
The canonical SMILES for 5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene is Cc1ncn2c1Cn1nc(Cc3cccn3C)nc1-c1ccccc1-2.
What is the InChIKey of 5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene?
The InChIKey is OXMXNQZVFCRIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-13-17-11-25-19(15-7-3-4-8-16(15)24(17)12-20-13)21-18(22-25)10-14-6-5-9-23(14)2/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene?
5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene has a molecular weight of 330.40 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10-[(1-methylpyrrol-2-yl)methyl]-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene is sourced from PubChem (CID 67549598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).