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

C21H25BrN6O2 — CID 70689447

IUPAC1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2nc3ncc(Br)c(NCCCNC(=O)C4(CN)CC4)c3[nH]2)cc1
InChIInChI=1S/C21H25BrN6O2/c1-30-14-5-3-13(4-6-14)18-27-17-16(15(22)11-26-19(17)28-18)24-9-2-10-25-20(29)21(12-23)7-8-21/h3-6,11H,2,7-10,12,23H2,1H3,(H,25,29)(H2,24,26,27,28)
InChIKeyXUELBKVSGYWSKD-UHFFFAOYSA-N
MW473.38 g/mol
LogP3.05
Rot. Bonds9

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

1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide (PubChem CID 70689447) has the molecular formula C21H25BrN6O2 and a molecular weight of 473.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide
PubChem CID70689447
Molecular FormulaC21H25BrN6O2
Molecular Weight473.38 g/mol
Exact Mass472.12
IUPAC Name1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2nc3ncc(Br)c(NCCCNC(=O)C4(CN)CC4)c3[nH]2)cc1
InChIInChI=1S/C21H25BrN6O2/c1-30-14-5-3-13(4-6-14)18-27-17-16(15(22)11-26-19(17)28-18)24-9-2-10-25-20(29)21(12-23)7-8-21/h3-6,11H,2,7-10,12,23H2,1H3,(H,25,29)(H2,24,26,27,28)
InChIKeyXUELBKVSGYWSKD-UHFFFAOYSA-N
XLogP3.05
TPSA117.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide (CID 70689447) is 1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide is COc1ccc(-c2nc3ncc(Br)c(NCCCNC(=O)C4(CN)CC4)c3[nH]2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide?
The InChIKey is XUELBKVSGYWSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN6O2/c1-30-14-5-3-13(4-6-14)18-27-17-16(15(22)11-26-19(17)28-18)24-9-2-10-25-20(29)21(12-23)7-8-21/h3-6,11H,2,7-10,12,23H2,1H3,(H,25,29)(H2,24,26,27,28).
What are the key properties of 1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide has a molecular weight of 473.38 g/mol, XLogP of 3.05, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 70689447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).