2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide

C20H15BrFN5O — CID 71277570

IUPAC2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1c(Br)cnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C20H15BrFN5O/c1-23-20(28)13-4-2-3-5-15(13)25-16-14(21)10-24-19-17(16)26-18(27-19)11-6-8-12(22)9-7-11/h2-10H,1H3,(H,23,28)(H2,24,25,26,27)
InChIKeyYGBBFQIVPKSHOI-UHFFFAOYSA-N
MW440.28 g/mol
LogP4.63
Rot. Bonds4

About 2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide

2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide (PubChem CID 71277570) has the molecular formula C20H15BrFN5O and a molecular weight of 440.28 g/mol. Its IUPAC name is 2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide
PubChem CID71277570
Molecular FormulaC20H15BrFN5O
Molecular Weight440.28 g/mol
Exact Mass439.04
IUPAC Name2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1c(Br)cnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C20H15BrFN5O/c1-23-20(28)13-4-2-3-5-15(13)25-16-14(21)10-24-19-17(16)26-18(27-19)11-6-8-12(22)9-7-11/h2-10H,1H3,(H,23,28)(H2,24,25,26,27)
InChIKeyYGBBFQIVPKSHOI-UHFFFAOYSA-N
XLogP4.63
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.28
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide (CID 71277570) is 2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1c(Br)cnc2nc(-c3ccc(F)cc3)[nH]c12.
What is the InChIKey of 2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide?
The InChIKey is YGBBFQIVPKSHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFN5O/c1-23-20(28)13-4-2-3-5-15(13)25-16-14(21)10-24-19-17(16)26-18(27-19)11-6-8-12(22)9-7-11/h2-10H,1H3,(H,23,28)(H2,24,25,26,27).
What are the key properties of 2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide?
2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide has a molecular weight of 440.28 g/mol, XLogP of 4.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 71277570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).