(7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene

C15H21N5O — CID 178107014

IUPAC(7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene
SMILESCCCn1nc2c3c(nc(C)nc31)N1CCCC[C@H]1CO2
InChIInChI=1S/C15H21N5O/c1-3-7-20-14-12-13(16-10(2)17-14)19-8-5-4-6-11(19)9-21-15(12)18-20/h11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyMOTGEETVXDSOEW-NSHDSACASA-N
MW287.37 g/mol
LogP2.30
Rot. Bonds2

About (7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene

(7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene (PubChem CID 178107014) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene.

Molecular Properties

Compound Name(7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene
PubChem CID178107014
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene
SMILESCCCn1nc2c3c(nc(C)nc31)N1CCCC[C@H]1CO2
InChIInChI=1S/C15H21N5O/c1-3-7-20-14-12-13(16-10(2)17-14)19-8-5-4-6-11(19)9-21-15(12)18-20/h11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyMOTGEETVXDSOEW-NSHDSACASA-N
XLogP2.30
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene 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 (7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene?
The IUPAC name of (7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene (CID 178107014) is (7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene.
What is the SMILES notation for (7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene?
The canonical SMILES for (7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene is CCCn1nc2c3c(nc(C)nc31)N1CCCC[C@H]1CO2.
What is the InChIKey of (7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene?
The InChIKey is MOTGEETVXDSOEW-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-7-20-14-12-13(16-10(2)17-14)19-8-5-4-6-11(19)9-21-15(12)18-20/h11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene?
(7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene has a molecular weight of 287.37 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-15-methyl-12-propyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene is sourced from PubChem (CID 178107014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).