1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine

C34H22N8 — CID 5252184

IUPAC1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)ccn2-c1cc(-n2ccc3cccnc32)c(-n2ccc3cccnc32)cc1-n1ccc2cccnc21
InChIInChI=1S/C34H22N8/c1-5-23-9-17-39(31(23)35-13-1)27-21-29(41-19-11-25-7-3-15-37-33(25)41)30(42-20-12-26-8-4-16-38-34(26)42)22-28(27)40-18-10-24-6-2-14-36-32(24)40/h1-22H
InChIKeyUWHZBJQPWJMCKM-UHFFFAOYSA-N
MW542.61 g/mol
LogP7.04
Rot. Bonds4

About 1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine

1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 5252184) has the molecular formula C34H22N8 and a molecular weight of 542.61 g/mol. Its IUPAC name is 1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine
PubChem CID5252184
Molecular FormulaC34H22N8
Molecular Weight542.61 g/mol
Exact Mass542.20
IUPAC Name1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)ccn2-c1cc(-n2ccc3cccnc32)c(-n2ccc3cccnc32)cc1-n1ccc2cccnc21
InChIInChI=1S/C34H22N8/c1-5-23-9-17-39(31(23)35-13-1)27-21-29(41-19-11-25-7-3-15-37-33(25)41)30(42-20-12-26-8-4-16-38-34(26)42)22-28(27)40-18-10-24-6-2-14-36-32(24)40/h1-22H
InChIKeyUWHZBJQPWJMCKM-UHFFFAOYSA-N
XLogP7.04
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.61
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646631
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646642
8-cyclopentyl-N-(4-piperazin-1-ylphenyl)-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300214
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646634
8-phenyl-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 58300137
8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300185
2,6-Bis(6-methyl-3-pyridinyl)-1,7-dipropylimidazo[4,5-f]benzimidazole
CID 168273108
5-imidazo[1,2-a]pyridin-3-yl-N-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridin-3-amine
CID 172449783
1,1',1''-(1,3,5-Benzenetriyl)tris[1H-pyrrolo[2,3-b]pyridine]
CID 53433505
Copper 5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 58814649
2,5,11,14,20,23,29,32,37,38,39,40-Dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 135979524
3,6-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;(6S)-3,6-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 153629301

Frequently Asked Questions

What is the IUPAC name of 1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine (CID 5252184) is 1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine is c1cnc2c(c1)ccn2-c1cc(-n2ccc3cccnc32)c(-n2ccc3cccnc32)cc1-n1ccc2cccnc21.
What is the InChIKey of 1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
The InChIKey is UWHZBJQPWJMCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N8/c1-5-23-9-17-39(31(23)35-13-1)27-21-29(41-19-11-25-7-3-15-37-33(25)41)30(42-20-12-26-8-4-16-38-34(26)42)22-28(27)40-18-10-24-6-2-14-36-32(24)40/h1-22H.
What are the key properties of 1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 542.61 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 5252184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).