4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane

C32H32N10OSi — CID 159501322

IUPAC4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2c1ncn1cc(-c3cccnc3)nc21.c1cncc(-c2cn3cnc4[nH]ccc4c3n2)c1
InChIInChI=1S/C19H23N5OSi.C13H9N5/c1-26(2,3)10-9-25-14-23-8-6-16-18(23)21-13-24-12-17(22-19(16)24)15-5-4-7-20-11-15;1-2-9(6-14-4-1)11-7-18-8-16-12-10(3-5-15-12)13(18)17-11/h4-8,11-13H,9-10,14H2,1-3H3;1-8,15H
InChIKeyLZKMENTXMRSMPC-UHFFFAOYSA-N
MW600.76 g/mol
LogP6.33
Rot. Bonds7

About 4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane

4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane (PubChem CID 159501322) has the molecular formula C32H32N10OSi and a molecular weight of 600.76 g/mol. Its IUPAC name is 4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane.

Molecular Properties

Compound Name4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane
PubChem CID159501322
Molecular FormulaC32H32N10OSi
Molecular Weight600.76 g/mol
Exact Mass600.25
IUPAC Name4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2c1ncn1cc(-c3cccnc3)nc21.c1cncc(-c2cn3cnc4[nH]ccc4c3n2)c1
InChIInChI=1S/C19H23N5OSi.C13H9N5/c1-26(2,3)10-9-25-14-23-8-6-16-18(23)21-13-24-12-17(22-19(16)24)15-5-4-7-20-11-15;1-2-9(6-14-4-1)11-7-18-8-16-12-10(3-5-15-12)13(18)17-11/h4-8,11-13H,9-10,14H2,1-3H3;1-8,15H
InChIKeyLZKMENTXMRSMPC-UHFFFAOYSA-N
XLogP6.33
TPSA116.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane 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

3-[1-(Pyrimidin-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58394751
3-[4-Methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395252
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70697345
6-(1H-imidazo[4,5-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 156021345
8-cyclopentyl-N-[5-(1,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299686
8-cyclopentyl-N-[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299693
N-[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]-8-[(3R)-pyrrolidin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299791
N-[5-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-8-[(3R)-pyrrolidin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299915
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-[(3R)-pyrrolidin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300087
8-(2-methoxyethyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300114
(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-purin-6-yl]morpholine
CID 60148746
(3S)-4-[2-(4,4-difluoropiperidin-1-yl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-purin-6-yl]-3-methylmorpholine
CID 68198075

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane?
The IUPAC name of 4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane (CID 159501322) is 4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane.
What is the SMILES notation for 4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane?
The canonical SMILES for 4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ccc2c1ncn1cc(-c3cccnc3)nc21.c1cncc(-c2cn3cnc4[nH]ccc4c3n2)c1.
What is the InChIKey of 4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane?
The InChIKey is LZKMENTXMRSMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OSi.C13H9N5/c1-26(2,3)10-9-25-14-23-8-6-16-18(23)21-13-24-12-17(22-19(16)24)15-5-4-7-20-11-15;1-2-9(6-14-4-1)11-7-18-8-16-12-10(3-5-15-12)13(18)17-11/h4-8,11-13H,9-10,14H2,1-3H3;1-8,15H.
What are the key properties of 4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane?
4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane has a molecular weight of 600.76 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane is sourced from PubChem (CID 159501322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).