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

C40H29N7 — CID 155609553

IUPAC9-(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
SMILESCN1CN(C2(c3cccc(C4(c5ccn[nH]5)c5ccccc5-c5ccncc54)c3)c3ccccc3-c3ccncc32)c2ncccc21
InChIInChI=1S/C40H29N7/c1-46-25-47(38-36(46)14-7-18-43-38)40(33-13-5-3-11-29(33)31-16-20-42-24-35(31)40)27-9-6-8-26(22-27)39(37-17-21-44-45-37)32-12-4-2-10-28(32)30-15-19-41-23-34(30)39/h2-24H,25H2,1H3,(H,44,45)
InChIKeyORFIVKJQKFBROC-UHFFFAOYSA-N
MW607.72 g/mol
LogP7.14
Rot. Bonds4

About 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

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 (PubChem CID 155609553) has the molecular formula C40H29N7 and a molecular weight of 607.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID155609553
Molecular FormulaC40H29N7
Molecular Weight607.72 g/mol
Exact Mass607.25
IUPAC Name9-(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
SMILESCN1CN(C2(c3cccc(C4(c5ccn[nH]5)c5ccccc5-c5ccncc54)c3)c3ccccc3-c3ccncc32)c2ncccc21
InChIInChI=1S/C40H29N7/c1-46-25-47(38-36(46)14-7-18-43-38)40(33-13-5-3-11-29(33)31-16-20-42-24-35(31)40)27-9-6-8-26(22-27)39(37-17-21-44-45-37)32-12-4-2-10-28(32)30-15-19-41-23-34(30)39/h2-24H,25H2,1H3,(H,44,45)
InChIKeyORFIVKJQKFBROC-UHFFFAOYSA-N
XLogP7.14
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.72
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole
CID 155609501
1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine
CID 155609581
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
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
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
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-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine
CID 155609655
9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-9-(1H-pyrazol-5-yl)indeno[2,1-b]pyridine
CID 155609606
9-(1H-pyrazol-5-yl)-9-[3-(3,4,5-trimethylimidazole-1,3-diium-1-yl)phenyl]indeno[2,1-c]pyridine
CID 176537331
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
3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 155105061

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CN(C2(c3cccc(C4(c5ccn[nH]5)c5ccccc5-c5ccncc54)c3)c3ccccc3-c3ccncc32)c2ncccc21.
What is the InChIKey of 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?
The InChIKey is ORFIVKJQKFBROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N7/c1-46-25-47(38-36(46)14-7-18-43-38)40(33-13-5-3-11-29(33)31-16-20-42-24-35(31)40)27-9-6-8-26(22-27)39(37-17-21-44-45-37)32-12-4-2-10-28(32)30-15-19-41-23-34(30)39/h2-24H,25H2,1H3,(H,44,45).
What are the key properties of 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?
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 has a molecular weight of 607.72 g/mol, XLogP of 7.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155609553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).