2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline

C174H121N17 — CID 157131088

IUPAC2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
SMILESCCc1nc2ccccc2n1-c1ccc(-c2ccc(-c3c(-c4ccccc4)nn4c(-c5ccccc5)cc5ccccc5c34)cc2)cc1.CCn1c(-c2ccc(-c3ccc(-c4c(-c5ccccc5)nn5c(-c6ccccc6)cc6ccccc6c45)cc3)cc2)nc2ccccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5ccccc5c5c(-c6ccccc6)c(-c6ccccc6)nn45)cc3)n2)cc1.c1ccc(-c2nn3c(-c4ccccc4)cc4ccccc4c3c2-c2ccc(-c3c(-c4ccccc4)nc4ccccn34)cc2)cc1
InChIInChI=1S/C44H29N5.2C44H32N4.C42H28N4/c1-5-15-31(16-6-1)39-40(32-17-7-2-8-18-32)48-49-38(29-36-23-13-14-24-37(36)41(39)49)30-25-27-35(28-26-30)44-46-42(33-19-9-3-10-20-33)45-43(47-44)34-21-11-4-12-22-34;1-2-47-39-20-12-11-19-38(39)45-44(47)35-27-23-31(24-28-35)30-21-25-33(26-22-30)41-42(34-15-7-4-8-16-34)46-48-40(32-13-5-3-6-14-32)29-36-17-9-10-18-37(36)43(41)48;1-2-41-45-38-19-11-12-20-39(38)47(41)36-27-25-31(26-28-36)30-21-23-33(24-22-30)42-43(34-15-7-4-8-16-34)46-48-40(32-13-5-3-6-14-32)29-35-17-9-10-18-37(35)44(42)48;1-4-14-29(15-5-1)36-28-34-20-10-11-21-35(34)42-38(39(44-46(36)42)31-16-6-2-7-17-31)30-23-25-33(26-24-30)41-40(32-18-8-3-9-19-32)43-37-22-12-13-27-45(37)41/h1-29H;2*3-29H,2H2,1H3;1-28H
InChIKeyAJBSMEDOODZGLD-UHFFFAOYSA-N
MW2450.00 g/mol
LogP43.39
Rot. Bonds23

About 2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline

2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline (PubChem CID 157131088) has the molecular formula C174H121N17 and a molecular weight of 2450.00 g/mol. Its IUPAC name is 2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
PubChem CID157131088
Molecular FormulaC174H121N17
Molecular Weight2450.00 g/mol
Exact Mass2448.00
IUPAC Name2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
SMILESCCc1nc2ccccc2n1-c1ccc(-c2ccc(-c3c(-c4ccccc4)nn4c(-c5ccccc5)cc5ccccc5c34)cc2)cc1.CCn1c(-c2ccc(-c3ccc(-c4c(-c5ccccc5)nn5c(-c6ccccc6)cc6ccccc6c45)cc3)cc2)nc2ccccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5ccccc5c5c(-c6ccccc6)c(-c6ccccc6)nn45)cc3)n2)cc1.c1ccc(-c2nn3c(-c4ccccc4)cc4ccccc4c3c2-c2ccc(-c3c(-c4ccccc4)nc4ccccn34)cc2)cc1
InChIInChI=1S/C44H29N5.2C44H32N4.C42H28N4/c1-5-15-31(16-6-1)39-40(32-17-7-2-8-18-32)48-49-38(29-36-23-13-14-24-37(36)41(39)49)30-25-27-35(28-26-30)44-46-42(33-19-9-3-10-20-33)45-43(47-44)34-21-11-4-12-22-34;1-2-47-39-20-12-11-19-38(39)45-44(47)35-27-23-31(24-28-35)30-21-25-33(26-22-30)41-42(34-15-7-4-8-16-34)46-48-40(32-13-5-3-6-14-32)29-36-17-9-10-18-37(36)43(41)48;1-2-41-45-38-19-11-12-20-39(38)47(41)36-27-25-31(26-28-36)30-21-23-33(24-22-30)42-43(34-15-7-4-8-16-34)46-48-40(32-13-5-3-6-14-32)29-35-17-9-10-18-37(35)44(42)48;1-4-14-29(15-5-1)36-28-34-20-10-11-21-35(34)42-38(39(44-46(36)42)31-16-6-2-7-17-31)30-23-25-33(26-24-30)41-40(32-18-8-3-9-19-32)43-37-22-12-13-27-45(37)41/h1-29H;2*3-29H,2H2,1H3;1-28H
InChIKeyAJBSMEDOODZGLD-UHFFFAOYSA-N
XLogP43.39
TPSA160.81 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002450.00
LogP ≤ 543.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline with MolForge

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Related Compounds

9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine
CID 15979150
3-((4-methylpiperazin-1-yl)methyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
CID 44572054
2-propyl-5-(1-propylbenzimidazol-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyridine
CID 76321525
2-[1-[[4-(6-Phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]piperidin-4-yl]quinoxaline
CID 68757284
US11459329, Example 52
CID 151835103
US11840546, Example 3
CID 162389384
US11840546, Example 2
CID 162389388
2,5-Bis[4-(4-pentylphenyl)triazol-1-yl]benzimidazolo[1,2-a]quinoline-6-carbonitrile
CID 155560568
2-Methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine
CID 91366751
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-16-methyl-4,9,16-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 123631446
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-22-ethyl-6,9,22-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 123704958
7,8-Diethyl-8-methyl-7-[2-[9-methyl-3-(5-methylpyrido[2,3-b]pyrazin-5-ium-6-yl)carbazol-2-yl]ethyl]-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene
CID 123746536

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline (CID 157131088) is 2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline is CCc1nc2ccccc2n1-c1ccc(-c2ccc(-c3c(-c4ccccc4)nn4c(-c5ccccc5)cc5ccccc5c34)cc2)cc1.CCn1c(-c2ccc(-c3ccc(-c4c(-c5ccccc5)nn5c(-c6ccccc6)cc6ccccc6c45)cc3)cc2)nc2ccccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5ccccc5c5c(-c6ccccc6)c(-c6ccccc6)nn45)cc3)n2)cc1.c1ccc(-c2nn3c(-c4ccccc4)cc4ccccc4c3c2-c2ccc(-c3c(-c4ccccc4)nc4ccccn34)cc2)cc1.
What is the InChIKey of 2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is AJBSMEDOODZGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5.2C44H32N4.C42H28N4/c1-5-15-31(16-6-1)39-40(32-17-7-2-8-18-32)48-49-38(29-36-23-13-14-24-37(36)41(39)49)30-25-27-35(28-26-30)44-46-42(33-19-9-3-10-20-33)45-43(47-44)34-21-11-4-12-22-34;1-2-47-39-20-12-11-19-38(39)45-44(47)35-27-23-31(24-28-35)30-21-25-33(26-22-30)41-42(34-15-7-4-8-16-34)46-48-40(32-13-5-3-6-14-32)29-36-17-9-10-18-37(36)43(41)48;1-2-41-45-38-19-11-12-20-39(38)47(41)36-27-25-31(26-28-36)30-21-23-33(24-22-30)42-43(34-15-7-4-8-16-34)46-48-40(32-13-5-3-6-14-32)29-35-17-9-10-18-37(35)44(42)48;1-4-14-29(15-5-1)36-28-34-20-10-11-21-35(34)42-38(39(44-46(36)42)31-16-6-2-7-17-31)30-23-25-33(26-24-30)41-40(32-18-8-3-9-19-32)43-37-22-12-13-27-45(37)41/h1-29H;2*3-29H,2H2,1H3;1-28H.
What are the key properties of 2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline?
2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 2450.00 g/mol, XLogP of 43.39, 23 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrazolo[5,1-a]isoquinoline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;1-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 157131088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).