cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride

C56H58CsFN10Si — CID 157076939

IUPACcesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride
SMILESC.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc4ncnc(N5CCc6ccccc65)c4c3)cnc21.[Cs+].[F-].c1ccc2c(c1)CCN2c1ncnc2ccc(-c3cnc4[nH]ccc4c3)cc12
InChIInChI=1S/C32H37N5Si.C23H17N5.CH4.Cs.FH/c1-21(2)38(22(3)4,23(5)6)37-16-14-26-17-27(19-33-31(26)37)25-11-12-29-28(18-25)32(35-20-34-29)36-15-13-24-9-7-8-10-30(24)36;1-2-4-21-15(3-1)8-10-28(21)23-19-12-16(5-6-20(19)26-14-27-23)18-11-17-7-9-24-22(17)25-13-18;;;/h7-12,14,16-23H,13,15H2,1-6H3;1-7,9,11-14H,8,10H2,(H,24,25);1H4;;1H/q;;;+1;/p-1
InChIKeyADBRRQHSLUAWMD-UHFFFAOYSA-M
MW1051.14 g/mol
LogP7.88
Rot. Bonds8

About cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride

cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride (PubChem CID 157076939) has the molecular formula C56H58CsFN10Si and a molecular weight of 1051.14 g/mol. Its IUPAC name is cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride.

Molecular Properties

Compound Namecesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride
PubChem CID157076939
Molecular FormulaC56H58CsFN10Si
Molecular Weight1051.14 g/mol
Exact Mass1050.37
IUPAC Namecesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride
SMILESC.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc4ncnc(N5CCc6ccccc65)c4c3)cnc21.[Cs+].[F-].c1ccc2c(c1)CCN2c1ncnc2ccc(-c3cnc4[nH]ccc4c3)cc12
InChIInChI=1S/C32H37N5Si.C23H17N5.CH4.Cs.FH/c1-21(2)38(22(3)4,23(5)6)37-16-14-26-17-27(19-33-31(26)37)25-11-12-29-28(18-25)32(35-20-34-29)36-15-13-24-9-7-8-10-30(24)36;1-2-4-21-15(3-1)8-10-28(21)23-19-12-16(5-6-20(19)26-14-27-23)18-11-17-7-9-24-22(17)25-13-18;;;/h7-12,14,16-23H,13,15H2,1-6H3;1-7,9,11-14H,8,10H2,(H,24,25);1H4;;1H/q;;;+1;/p-1
InChIKeyADBRRQHSLUAWMD-UHFFFAOYSA-M
XLogP7.88
TPSA104.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.14
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride 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

N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
N-(2-methyl-4-(2-(pyrrolidin-1-yl)ethyl)phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 16046217
N-(2-methyl-4-(2-(piperidin-1-yl)ethyl)phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44416038
4-(4-benzylphenyl)-6-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-9H-pyrido[2,3-b]indole
CID 72195474
4-(4-benzylpiperazin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 90013708
4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 90013908
2-methyl-1-phenyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinoline
CID 168270741
1-(4-fluorophenyl)-2-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinoline
CID 168273360
2-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinoline
CID 168276358
1-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinoline
CID 168282406
2-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinoline
CID 168288636
1-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinoline
CID 168291959

Frequently Asked Questions

What is the IUPAC name of cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride?
The IUPAC name of cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride (CID 157076939) is cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride.
What is the SMILES notation for cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride?
The canonical SMILES for cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride is C.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc4ncnc(N5CCc6ccccc65)c4c3)cnc21.[Cs+].[F-].c1ccc2c(c1)CCN2c1ncnc2ccc(-c3cnc4[nH]ccc4c3)cc12.
What is the InChIKey of cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride?
The InChIKey is ADBRRQHSLUAWMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H37N5Si.C23H17N5.CH4.Cs.FH/c1-21(2)38(22(3)4,23(5)6)37-16-14-26-17-27(19-33-31(26)37)25-11-12-29-28(18-25)32(35-20-34-29)36-15-13-24-9-7-8-10-30(24)36;1-2-4-21-15(3-1)8-10-28(21)23-19-12-16(5-6-20(19)26-14-27-23)18-11-17-7-9-24-22(17)25-13-18;;;/h7-12,14,16-23H,13,15H2,1-6H3;1-7,9,11-14H,8,10H2,(H,24,25);1H4;;1H/q;;;+1;/p-1.
What are the key properties of cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride?
cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride has a molecular weight of 1051.14 g/mol, XLogP of 7.88, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;4-(2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(2,3-dihydroindol-1-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;fluoride is sourced from PubChem (CID 157076939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).