N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide

C18H20BrN5O2 — CID 70687387

IUPACN-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide
SMILESCOc1ccc(-c2nc3ncc(Br)c(NCCCNC(C)=O)c3[nH]2)cc1
InChIInChI=1S/C18H20BrN5O2/c1-11(25)20-8-3-9-21-15-14(19)10-22-18-16(15)23-17(24-18)12-4-6-13(26-2)7-5-12/h4-7,10H,3,8-9H2,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeyCFBXWHPXNROFFK-UHFFFAOYSA-N
MW418.30 g/mol
LogP3.33
Rot. Bonds7

About N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide

N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide (PubChem CID 70687387) has the molecular formula C18H20BrN5O2 and a molecular weight of 418.30 g/mol. Its IUPAC name is N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide
PubChem CID70687387
Molecular FormulaC18H20BrN5O2
Molecular Weight418.30 g/mol
Exact Mass417.08
IUPAC NameN-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide
SMILESCOc1ccc(-c2nc3ncc(Br)c(NCCCNC(C)=O)c3[nH]2)cc1
InChIInChI=1S/C18H20BrN5O2/c1-11(25)20-8-3-9-21-15-14(19)10-22-18-16(15)23-17(24-18)12-4-6-13(26-2)7-5-12/h4-7,10H,3,8-9H2,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeyCFBXWHPXNROFFK-UHFFFAOYSA-N
XLogP3.33
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide?
The IUPAC name of N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide (CID 70687387) is N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide.
What is the SMILES notation for N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide?
The canonical SMILES for N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide is COc1ccc(-c2nc3ncc(Br)c(NCCCNC(C)=O)c3[nH]2)cc1.
What is the InChIKey of N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide?
The InChIKey is CFBXWHPXNROFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O2/c1-11(25)20-8-3-9-21-15-14(19)10-22-18-16(15)23-17(24-18)12-4-6-13(26-2)7-5-12/h4-7,10H,3,8-9H2,1-2H3,(H,20,25)(H2,21,22,23,24).
What are the key properties of N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide?
N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide has a molecular weight of 418.30 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]acetamide is sourced from PubChem (CID 70687387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).