9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol

C15H19N5O — CID 175758689

IUPAC9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol
SMILESCc1ncc2cc3c(nc2n1)N1CCCCC1C(O)N3C
InChIInChI=1S/C15H19N5O/c1-9-16-8-10-7-12-14(18-13(10)17-9)20-6-4-3-5-11(20)15(21)19(12)2/h7-8,11,15,21H,3-6H2,1-2H3
InChIKeyWZSQSAWKBQYJJU-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.46
Rot. Bonds

About 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol

9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol (PubChem CID 175758689) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol.

Molecular Properties

Compound Name9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol
PubChem CID175758689
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol
SMILESCc1ncc2cc3c(nc2n1)N1CCCCC1C(O)N3C
InChIInChI=1S/C15H19N5O/c1-9-16-8-10-7-12-14(18-13(10)17-9)20-6-4-3-5-11(20)15(21)19(12)2/h7-8,11,15,21H,3-6H2,1-2H3
InChIKeyWZSQSAWKBQYJJU-UHFFFAOYSA-N
XLogP1.46
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol with MolForge

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

Launch Full Analysis

Related Compounds

9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 175758733
N,N,2-trimethyl-7-(2-methylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 175758742
2,4-dimethyl-5-piperidin-1-ylpyrimidine
CID 174735831
1-(2-methylpyrimidin-4-yl)piperidine-2-carboxamide
CID 110269417
1-(3-cyano-2,6-dimethyl-4-pyridinyl)piperidine-2-carboxylic acid
CID 81050172
1-(3-cyano-2,6-dimethyl-4-pyridinyl)azepane-2-carboxylic acid
CID 81060800
[4-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidin-2-yl]hydrazine
CID 80903578
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81060387
2-(3,5-dimethyl-2-pyridinyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 18717431
1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid
CID 112709125
N-[[2-methyl-4-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114215748
2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid
CID 81052989

Frequently Asked Questions

What is the IUPAC name of 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol?
The IUPAC name of 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol (CID 175758689) is 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol.
What is the SMILES notation for 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol?
The canonical SMILES for 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol is Cc1ncc2cc3c(nc2n1)N1CCCCC1C(O)N3C.
What is the InChIKey of 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol?
The InChIKey is WZSQSAWKBQYJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9-16-8-10-7-12-14(18-13(10)17-9)20-6-4-3-5-11(20)15(21)19(12)2/h7-8,11,15,21H,3-6H2,1-2H3.
What are the key properties of 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol?
9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol has a molecular weight of 285.35 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-ol is sourced from PubChem (CID 175758689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).