1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol

C16H14BrN5O — CID 67548851

IUPAC1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol
SMILESCc1ncn2c1Cn1nc(C3(O)CC3)nc1-c1cc(Br)ccc1-2
InChIInChI=1S/C16H14BrN5O/c1-9-13-7-22-14(19-15(20-22)16(23)4-5-16)11-6-10(17)2-3-12(11)21(13)8-18-9/h2-3,6,8,23H,4-5,7H2,1H3
InChIKeyBOJLYMZTQGTGFD-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.54
Rot. Bonds1

About 1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol

1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol (PubChem CID 67548851) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol
PubChem CID67548851
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol
SMILESCc1ncn2c1Cn1nc(C3(O)CC3)nc1-c1cc(Br)ccc1-2
InChIInChI=1S/C16H14BrN5O/c1-9-13-7-22-14(19-15(20-22)16(23)4-5-16)11-6-10(17)2-3-12(11)21(13)8-18-9/h2-3,6,8,23H,4-5,7H2,1H3
InChIKeyBOJLYMZTQGTGFD-UHFFFAOYSA-N
XLogP2.54
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol?
The IUPAC name of 1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol (CID 67548851) is 1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol is Cc1ncn2c1Cn1nc(C3(O)CC3)nc1-c1cc(Br)ccc1-2.
What is the InChIKey of 1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol?
The InChIKey is BOJLYMZTQGTGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-9-13-7-22-14(19-15(20-22)16(23)4-5-16)11-6-10(17)2-3-12(11)21(13)8-18-9/h2-3,6,8,23H,4-5,7H2,1H3.
What are the key properties of 1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol?
1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol has a molecular weight of 372.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(15-bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)cyclopropan-1-ol is sourced from PubChem (CID 67548851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).