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

C20H23BrN6O — CID 70681032

IUPACN-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide
SMILESNc1cccc(-c2nc3ncc(Br)c(NCCCNC(=O)C4CCC4)c3[nH]2)c1
InChIInChI=1S/C20H23BrN6O/c21-15-11-25-19-17(26-18(27-19)13-6-2-7-14(22)10-13)16(15)23-8-3-9-24-20(28)12-4-1-5-12/h2,6-7,10-12H,1,3-5,8-9,22H2,(H,24,28)(H2,23,25,26,27)
InChIKeyZFQFDCSTGATGQP-UHFFFAOYSA-N
MW443.35 g/mol
LogP3.69
Rot. Bonds7

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

N-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide (PubChem CID 70681032) has the molecular formula C20H23BrN6O and a molecular weight of 443.35 g/mol. Its IUPAC name is N-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide
PubChem CID70681032
Molecular FormulaC20H23BrN6O
Molecular Weight443.35 g/mol
Exact Mass442.11
IUPAC NameN-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide
SMILESNc1cccc(-c2nc3ncc(Br)c(NCCCNC(=O)C4CCC4)c3[nH]2)c1
InChIInChI=1S/C20H23BrN6O/c21-15-11-25-19-17(26-18(27-19)13-6-2-7-14(22)10-13)16(15)23-8-3-9-24-20(28)12-4-1-5-12/h2,6-7,10-12H,1,3-5,8-9,22H2,(H,24,28)(H2,23,25,26,27)
InChIKeyZFQFDCSTGATGQP-UHFFFAOYSA-N
XLogP3.69
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide (CID 70681032) is N-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide is Nc1cccc(-c2nc3ncc(Br)c(NCCCNC(=O)C4CCC4)c3[nH]2)c1.
What is the InChIKey of N-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide?
The InChIKey is ZFQFDCSTGATGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN6O/c21-15-11-25-19-17(26-18(27-19)13-6-2-7-14(22)10-13)16(15)23-8-3-9-24-20(28)12-4-1-5-12/h2,6-7,10-12H,1,3-5,8-9,22H2,(H,24,28)(H2,23,25,26,27).
What are the key properties of N-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide?
N-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide has a molecular weight of 443.35 g/mol, XLogP of 3.69, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-aminophenyl)-6-bromo-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 70681032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).