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

C17H16BrN5 — CID 46882400

IUPAC15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCc1ncn2c1Cn1nc(CC3CC3)nc1-c1cc(Br)ccc1-2
InChIInChI=1S/C17H16BrN5/c1-10-15-8-23-17(20-16(21-23)6-11-2-3-11)13-7-12(18)4-5-14(13)22(15)9-19-10/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeyLHDPGSHJSSZMRH-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.52
Rot. Bonds2

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

15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (PubChem CID 46882400) has the molecular formula C17H16BrN5 and a molecular weight of 370.25 g/mol. Its IUPAC name is 15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.

Molecular Properties

Compound Name15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
PubChem CID46882400
Molecular FormulaC17H16BrN5
Molecular Weight370.25 g/mol
Exact Mass369.06
IUPAC Name15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCc1ncn2c1Cn1nc(CC3CC3)nc1-c1cc(Br)ccc1-2
InChIInChI=1S/C17H16BrN5/c1-10-15-8-23-17(20-16(21-23)6-11-2-3-11)13-7-12(18)4-5-14(13)22(15)9-19-10/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeyLHDPGSHJSSZMRH-UHFFFAOYSA-N
XLogP3.52
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The IUPAC name of 15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (CID 46882400) is 15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.
What is the SMILES notation for 15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The canonical SMILES for 15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is Cc1ncn2c1Cn1nc(CC3CC3)nc1-c1cc(Br)ccc1-2.
What is the InChIKey of 15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The InChIKey is LHDPGSHJSSZMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5/c1-10-15-8-23-17(20-16(21-23)6-11-2-3-11)13-7-12(18)4-5-14(13)22(15)9-19-10/h4-5,7,9,11H,2-3,6,8H2,1H3.
What are the key properties of 15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene has a molecular weight of 370.25 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is sourced from PubChem (CID 46882400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).