2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide

C25H16BrN5O — CID 11979038

IUPAC2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1ccnc(Br)c1
InChIInChI=1S/C25H16BrN5O/c26-21-12-14(8-11-28-21)25(32)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-20(19)30-24/h1-13,23H,(H,29,30)(H,31,32)
InChIKeyHZFFMTOXWIKFGD-UHFFFAOYSA-N
MW482.34 g/mol
LogP5.28
Rot. Bonds3

About 2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide

2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide (PubChem CID 11979038) has the molecular formula C25H16BrN5O and a molecular weight of 482.34 g/mol. Its IUPAC name is 2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
PubChem CID11979038
Molecular FormulaC25H16BrN5O
Molecular Weight482.34 g/mol
Exact Mass481.05
IUPAC Name2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1ccnc(Br)c1
InChIInChI=1S/C25H16BrN5O/c26-21-12-14(8-11-28-21)25(32)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-20(19)30-24/h1-13,23H,(H,29,30)(H,31,32)
InChIKeyHZFFMTOXWIKFGD-UHFFFAOYSA-N
XLogP5.28
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.34
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide (CID 11979038) is 2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide is O=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide?
The InChIKey is HZFFMTOXWIKFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrN5O/c26-21-12-14(8-11-28-21)25(32)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-20(19)30-24/h1-13,23H,(H,29,30)(H,31,32).
What are the key properties of 2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide?
2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide has a molecular weight of 482.34 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide is sourced from PubChem (CID 11979038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).