8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C26H24N6 — CID 155609528

IUPAC8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC1=C(C)N(c2cccc(C3(c4ccn[nH]4)c4ccncc4-c4cnccc43)c2)CN1C
InChIInChI=1S/C26H24N6/c1-17-18(2)32(16-31(17)3)20-6-4-5-19(13-20)26(25-9-12-29-30-25)23-7-10-27-14-21(23)22-15-28-11-8-24(22)26/h4-15H,16H2,1-3H3,(H,29,30)
InChIKeyRPCQXMJPFOSLHQ-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.52
Rot. Bonds3

About 8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 155609528) has the molecular formula C26H24N6 and a molecular weight of 420.52 g/mol. Its IUPAC name is 8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID155609528
Molecular FormulaC26H24N6
Molecular Weight420.52 g/mol
Exact Mass420.21
IUPAC Name8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC1=C(C)N(c2cccc(C3(c4ccn[nH]4)c4ccncc4-c4cnccc43)c2)CN1C
InChIInChI=1S/C26H24N6/c1-17-18(2)32(16-31(17)3)20-6-4-5-19(13-20)26(25-9-12-29-30-25)23-7-10-27-14-21(23)22-15-28-11-8-24(22)26/h4-15H,16H2,1-3H3,(H,29,30)
InChIKeyRPCQXMJPFOSLHQ-UHFFFAOYSA-N
XLogP4.52
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155609646
1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine
CID 155609581
1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole
CID 155609501
8-(1H-pyrazol-5-yl)-8-[4-[8-(3,4,5-trimethyl-2H-imidazol-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155609652
9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-9-(1H-pyrazol-5-yl)indeno[2,1-b]pyridine
CID 155609606
9-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-9-[3-[9-(1H-pyrazol-5-yl)indeno[2,1-c]pyridin-9-yl]phenyl]indeno[2,1-c]pyridine
CID 155609553
9-(1H-pyrazol-5-yl)-9-[3-(3,4,5-trimethylimidazole-1,3-diium-1-yl)phenyl]indeno[2,1-c]pyridine
CID 176537331
9-(1H-pyrazol-5-yl)-9-[3-[9-(3,4,5-trimethylimidazole-1,3-diium-1-yl)indeno[2,1-c]pyridin-9-yl]phenyl]indeno[2,1-c]pyridine
CID 176537359
3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 155105061
9-(3-methylimidazole-1,3-diium-1-yl)-9-[3-[9-(1H-pyrazol-5-yl)indeno[2,1-c]pyridin-9-yl]phenyl]indeno[2,1-c]pyridine
CID 176537336
1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
CID 140729745
3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine
CID 155609545

Frequently Asked Questions

What is the IUPAC name of 8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 155609528) is 8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CC1=C(C)N(c2cccc(C3(c4ccn[nH]4)c4ccncc4-c4cnccc43)c2)CN1C.
What is the InChIKey of 8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is RPCQXMJPFOSLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6/c1-17-18(2)32(16-31(17)3)20-6-4-5-19(13-20)26(25-9-12-29-30-25)23-7-10-27-14-21(23)22-15-28-11-8-24(22)26/h4-15H,16H2,1-3H3,(H,29,30).
What are the key properties of 8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 420.52 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 155609528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).