4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline

C17H15BrN6 — CID 10022826

IUPAC4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)[nH]1
InChIInChI=1S/C17H15BrN6/c1-10-19-8-14(22-10)9-20-13-4-2-11(3-5-13)16-23-15-6-12(18)7-21-17(15)24-16/h2-8,20H,9H2,1H3,(H,19,22)(H,21,23,24)
InChIKeyIKUYPVMIMGBPFU-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.03
Rot. Bonds4

About 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline

4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline (PubChem CID 10022826) has the molecular formula C17H15BrN6 and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
PubChem CID10022826
Molecular FormulaC17H15BrN6
Molecular Weight383.25 g/mol
Exact Mass382.05
IUPAC Name4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)[nH]1
InChIInChI=1S/C17H15BrN6/c1-10-19-8-14(22-10)9-20-13-4-2-11(3-5-13)16-23-15-6-12(18)7-21-17(15)24-16/h2-8,20H,9H2,1H3,(H,19,22)(H,21,23,24)
InChIKeyIKUYPVMIMGBPFU-UHFFFAOYSA-N
XLogP4.03
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The IUPAC name of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline (CID 10022826) is 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The canonical SMILES for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline is Cc1ncc(CNc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)[nH]1.
What is the InChIKey of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The InChIKey is IKUYPVMIMGBPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN6/c1-10-19-8-14(22-10)9-20-13-4-2-11(3-5-13)16-23-15-6-12(18)7-21-17(15)24-16/h2-8,20H,9H2,1H3,(H,19,22)(H,21,23,24).
What are the key properties of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline has a molecular weight of 383.25 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline is sourced from PubChem (CID 10022826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).