N-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine

C16H17BrFN7 — CID 118709838

IUPACN-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine
SMILESCN1CCN(c2nc3nc(Nc4ccc(Br)cn4)[nH]c3cc2F)CC1
InChIInChI=1S/C16H17BrFN7/c1-24-4-6-25(7-5-24)15-11(18)8-12-14(22-15)23-16(20-12)21-13-3-2-10(17)9-19-13/h2-3,8-9H,4-7H2,1H3,(H2,19,20,21,22,23)
InChIKeyNUFNBSSCCXOVEX-UHFFFAOYSA-N
MW406.26 g/mol
LogP2.75
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine

N-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine (PubChem CID 118709838) has the molecular formula C16H17BrFN7 and a molecular weight of 406.26 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine
PubChem CID118709838
Molecular FormulaC16H17BrFN7
Molecular Weight406.26 g/mol
Exact Mass405.07
IUPAC NameN-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine
SMILESCN1CCN(c2nc3nc(Nc4ccc(Br)cn4)[nH]c3cc2F)CC1
InChIInChI=1S/C16H17BrFN7/c1-24-4-6-25(7-5-24)15-11(18)8-12-14(22-15)23-16(20-12)21-13-3-2-10(17)9-19-13/h2-3,8-9H,4-7H2,1H3,(H2,19,20,21,22,23)
InChIKeyNUFNBSSCCXOVEX-UHFFFAOYSA-N
XLogP2.75
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of N-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine (CID 118709838) is N-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine is CN1CCN(c2nc3nc(Nc4ccc(Br)cn4)[nH]c3cc2F)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine?
The InChIKey is NUFNBSSCCXOVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN7/c1-24-4-6-25(7-5-24)15-11(18)8-12-14(22-15)23-16(20-12)21-13-3-2-10(17)9-19-13/h2-3,8-9H,4-7H2,1H3,(H2,19,20,21,22,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine?
N-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine has a molecular weight of 406.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 118709838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).