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

C19H22BrN5O — CID 70687386

IUPAC6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(-c2nc3ncc(Br)c(NCC4CCNCC4)c3[nH]2)cc1
InChIInChI=1S/C19H22BrN5O/c1-26-14-4-2-13(3-5-14)18-24-17-16(15(20)11-23-19(17)25-18)22-10-12-6-8-21-9-7-12/h2-5,11-12,21H,6-10H2,1H3,(H2,22,23,24,25)
InChIKeyWOTWXKACTZFRQE-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.81
Rot. Bonds5

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

6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70687386) has the molecular formula C19H22BrN5O and a molecular weight of 416.32 g/mol. Its IUPAC name is 6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70687386
Molecular FormulaC19H22BrN5O
Molecular Weight416.32 g/mol
Exact Mass415.10
IUPAC Name6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(-c2nc3ncc(Br)c(NCC4CCNCC4)c3[nH]2)cc1
InChIInChI=1S/C19H22BrN5O/c1-26-14-4-2-13(3-5-14)18-24-17-16(15(20)11-23-19(17)25-18)22-10-12-6-8-21-9-7-12/h2-5,11-12,21H,6-10H2,1H3,(H2,22,23,24,25)
InChIKeyWOTWXKACTZFRQE-UHFFFAOYSA-N
XLogP3.81
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 70687386) is 6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is COc1ccc(-c2nc3ncc(Br)c(NCC4CCNCC4)c3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is WOTWXKACTZFRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O/c1-26-14-4-2-13(3-5-14)18-24-17-16(15(20)11-23-19(17)25-18)22-10-12-6-8-21-9-7-12/h2-5,11-12,21H,6-10H2,1H3,(H2,22,23,24,25).
What are the key properties of 6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 416.32 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70687386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).