6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

C26H16BrN7O — CID 11979160

IUPAC6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1c(Br)cnc2nc[nH]c12
InChIInChI=1S/C26H16BrN7O/c27-17-10-29-25-23(30-12-31-25)21(17)26(35)34-22-14-5-2-1-4-13(14)20-15(22)6-3-7-16(20)24-32-18-8-9-28-11-19(18)33-24/h1-12,22H,(H,32,33)(H,34,35)(H,29,30,31)
InChIKeySBCCRNPXNJSIAW-UHFFFAOYSA-N
MW522.37 g/mol
LogP5.16
Rot. Bonds3

About 6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 11979160) has the molecular formula C26H16BrN7O and a molecular weight of 522.37 g/mol. Its IUPAC name is 6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID11979160
Molecular FormulaC26H16BrN7O
Molecular Weight522.37 g/mol
Exact Mass521.06
IUPAC Name6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1c(Br)cnc2nc[nH]c12
InChIInChI=1S/C26H16BrN7O/c27-17-10-29-25-23(30-12-31-25)21(17)26(35)34-22-14-5-2-1-4-13(14)20-15(22)6-3-7-16(20)24-32-18-8-9-28-11-19(18)33-24/h1-12,22H,(H,32,33)(H,34,35)(H,29,30,31)
InChIKeySBCCRNPXNJSIAW-UHFFFAOYSA-N
XLogP5.16
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.37
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of 6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 11979160) is 6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for 6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for 6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1c(Br)cnc2nc[nH]c12.
What is the InChIKey of 6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is SBCCRNPXNJSIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16BrN7O/c27-17-10-29-25-23(30-12-31-25)21(17)26(35)34-22-14-5-2-1-4-13(14)20-15(22)6-3-7-16(20)24-32-18-8-9-28-11-19(18)33-24/h1-12,22H,(H,32,33)(H,34,35)(H,29,30,31).
What are the key properties of 6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 522.37 g/mol, XLogP of 5.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 11979160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).