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

C55H54CsFN10Si — CID 161245566

IUPACcesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc4ncnc(N5Cc6ccccc6C5)c4c3)cnc21.[Cs+].[F-].c1ccc2c(c1)CN(c1ncnc3ccc(-c4cnc5[nH]ccc5c4)cc13)C2
InChIInChI=1S/C32H37N5Si.C23H17N5.Cs.FH/c1-21(2)38(22(3)4,23(5)6)37-14-13-25-15-28(17-33-31(25)37)24-11-12-30-29(16-24)32(35-20-34-30)36-18-26-9-7-8-10-27(26)19-36;1-2-4-18-13-28(12-17(18)3-1)23-20-10-15(5-6-21(20)26-14-27-23)19-9-16-7-8-24-22(16)25-11-19;;/h7-17,20-23H,18-19H2,1-6H3;1-11,14H,12-13H2,(H,24,25);;1H/q;;+1;/p-1
InChIKeyVAOZNDRQSYSEBE-UHFFFAOYSA-M
MW1035.10 g/mol
LogP6.89
Rot. Bonds8

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

cesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride (PubChem CID 161245566) has the molecular formula C55H54CsFN10Si and a molecular weight of 1035.10 g/mol. Its IUPAC name is cesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride.

Molecular Properties

Compound Namecesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride
PubChem CID161245566
Molecular FormulaC55H54CsFN10Si
Molecular Weight1035.10 g/mol
Exact Mass1034.33
IUPAC Namecesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc4ncnc(N5Cc6ccccc6C5)c4c3)cnc21.[Cs+].[F-].c1ccc2c(c1)CN(c1ncnc3ccc(-c4cnc5[nH]ccc5c4)cc13)C2
InChIInChI=1S/C32H37N5Si.C23H17N5.Cs.FH/c1-21(2)38(22(3)4,23(5)6)37-14-13-25-15-28(17-33-31(25)37)24-11-12-30-29(16-24)32(35-20-34-30)36-18-26-9-7-8-10-27(26)19-36;1-2-4-18-13-28(12-17(18)3-1)23-20-10-15(5-6-21(20)26-14-27-23)19-9-16-7-8-24-22(16)25-11-19;;/h7-17,20-23H,18-19H2,1-6H3;1-11,14H,12-13H2,(H,24,25);;1H/q;;+1;/p-1
InChIKeyVAOZNDRQSYSEBE-UHFFFAOYSA-M
XLogP6.89
TPSA104.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.10
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of cesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride?
The IUPAC name of cesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride (CID 161245566) is cesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride.
What is the SMILES notation for cesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride?
The canonical SMILES for cesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride is CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc4ncnc(N5Cc6ccccc6C5)c4c3)cnc21.[Cs+].[F-].c1ccc2c(c1)CN(c1ncnc3ccc(-c4cnc5[nH]ccc5c4)cc13)C2.
What is the InChIKey of cesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride?
The InChIKey is VAOZNDRQSYSEBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H37N5Si.C23H17N5.Cs.FH/c1-21(2)38(22(3)4,23(5)6)37-14-13-25-15-28(17-33-31(25)37)24-11-12-30-29(16-24)32(35-20-34-30)36-18-26-9-7-8-10-27(26)19-36;1-2-4-18-13-28(12-17(18)3-1)23-20-10-15(5-6-21(20)26-14-27-23)19-9-16-7-8-24-22(16)25-11-19;;/h7-17,20-23H,18-19H2,1-6H3;1-11,14H,12-13H2,(H,24,25);;1H/q;;+1;/p-1.
What are the key properties of cesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride?
cesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride has a molecular weight of 1035.10 g/mol, XLogP of 6.89, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;4-(1,3-dihydroisoindol-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline;[5-[4-(1,3-dihydroisoindol-2-yl)quinazolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;fluoride is sourced from PubChem (CID 161245566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).