6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine

C20H24BrN5O — CID 127040340

IUPAC6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(-c2nc3ncc(Br)c(NCC4CCN(C)CC4)c3[nH]2)cc1
InChIInChI=1S/C20H24BrN5O/c1-26-9-7-13(8-10-26)11-22-17-16(21)12-23-20-18(17)24-19(25-20)14-3-5-15(27-2)6-4-14/h3-6,12-13H,7-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyHESDEZZFAPSHPN-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.15
Rot. Bonds5

About 6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine

6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 127040340) has the molecular formula C20H24BrN5O and a molecular weight of 430.35 g/mol. Its IUPAC name is 6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID127040340
Molecular FormulaC20H24BrN5O
Molecular Weight430.35 g/mol
Exact Mass429.12
IUPAC Name6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(-c2nc3ncc(Br)c(NCC4CCN(C)CC4)c3[nH]2)cc1
InChIInChI=1S/C20H24BrN5O/c1-26-9-7-13(8-10-26)11-22-17-16(21)12-23-20-18(17)24-19(25-20)14-3-5-15(27-2)6-4-14/h3-6,12-13H,7-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyHESDEZZFAPSHPN-UHFFFAOYSA-N
XLogP4.15
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 127040340) is 6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine is COc1ccc(-c2nc3ncc(Br)c(NCC4CCN(C)CC4)c3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is HESDEZZFAPSHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O/c1-26-9-7-13(8-10-26)11-22-17-16(21)12-23-20-18(17)24-19(25-20)14-3-5-15(27-2)6-4-14/h3-6,12-13H,7-11H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 430.35 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 127040340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).