1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine

C29H23N5 — CID 155609581

IUPAC1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine
SMILESCN1CN(c2cccc(C3(c4ccn[nH]4)c4ccccc4-c4ccccc43)c2)c2ncccc21
InChIInChI=1S/C29H23N5/c1-33-19-34(28-26(33)14-7-16-30-28)21-9-6-8-20(18-21)29(27-15-17-31-32-27)24-12-4-2-10-22(24)23-11-3-5-13-25(23)29/h2-18H,19H2,1H3,(H,31,32)
InChIKeyHWDPEURQJPVMDH-UHFFFAOYSA-N
MW441.54 g/mol
LogP5.71
Rot. Bonds3

About 1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine

1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine (PubChem CID 155609581) has the molecular formula C29H23N5 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine
PubChem CID155609581
Molecular FormulaC29H23N5
Molecular Weight441.54 g/mol
Exact Mass441.20
IUPAC Name1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine
SMILESCN1CN(c2cccc(C3(c4ccn[nH]4)c4ccccc4-c4ccccc43)c2)c2ncccc21
InChIInChI=1S/C29H23N5/c1-33-19-34(28-26(33)14-7-16-30-28)21-9-6-8-20(18-21)29(27-15-17-31-32-27)24-12-4-2-10-22(24)23-11-3-5-13-25(23)29/h2-18H,19H2,1H3,(H,31,32)
InChIKeyHWDPEURQJPVMDH-UHFFFAOYSA-N
XLogP5.71
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

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-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-9-(1H-pyrazol-5-yl)indeno[2,1-b]pyridine
CID 155609606
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
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
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
1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole
CID 155609501
3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole
CID 156666908
3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine
CID 155609655
3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine
CID 171052815
9-[4-tert-butyl-6-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-2-pyridinyl]carbazole
CID 155614495
1-[2-[3-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848392

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine?
The IUPAC name of 1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine (CID 155609581) is 1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for 1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine is CN1CN(c2cccc(C3(c4ccn[nH]4)c4ccccc4-c4ccccc43)c2)c2ncccc21.
What is the InChIKey of 1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine?
The InChIKey is HWDPEURQJPVMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5/c1-33-19-34(28-26(33)14-7-16-30-28)21-9-6-8-20(18-21)29(27-15-17-31-32-27)24-12-4-2-10-22(24)23-11-3-5-13-25(23)29/h2-18H,19H2,1H3,(H,31,32).
What are the key properties of 1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine?
1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine has a molecular weight of 441.54 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 155609581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).