(Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate

C17H24BrN5O2 — CID 153344026

IUPAC(Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate
SMILESC/C(N)=C/N(N)Cc1cn2cc(C3CC3)cc(Br)c2n1.CCOC=O
InChIInChI=1S/C14H18BrN5.C3H6O2/c1-9(16)5-20(17)8-12-7-19-6-11(10-2-3-10)4-13(15)14(19)18-12;1-2-5-3-4/h4-7,10H,2-3,8,16-17H2,1H3;3H,2H2,1H3/b9-5-;
InChIKeyBTUPKUPNCHCMFX-UYTGOYFPSA-N
MW410.32 g/mol
LogP2.65
Rot. Bonds6

About (Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate

(Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate (PubChem CID 153344026) has the molecular formula C17H24BrN5O2 and a molecular weight of 410.32 g/mol. Its IUPAC name is (Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate.

Molecular Properties

Compound Name(Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate
PubChem CID153344026
Molecular FormulaC17H24BrN5O2
Molecular Weight410.32 g/mol
Exact Mass409.11
IUPAC Name(Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate
SMILESC/C(N)=C/N(N)Cc1cn2cc(C3CC3)cc(Br)c2n1.CCOC=O
InChIInChI=1S/C14H18BrN5.C3H6O2/c1-9(16)5-20(17)8-12-7-19-6-11(10-2-3-10)4-13(15)14(19)18-12;1-2-5-3-4/h4-7,10H,2-3,8,16-17H2,1H3;3H,2H2,1H3/b9-5-;
InChIKeyBTUPKUPNCHCMFX-UYTGOYFPSA-N
XLogP2.65
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile
CID 156708537
(Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal
CID 153343673
ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine
CID 165132115
1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
CID 139487588
(Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one
CID 175622793
(Z)-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-ene-1,2-diamine;ethane
CID 165133239
8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine
CID 165132150
(Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal;1-(methylaminomethyl)-8-phosphanylimidazo[1,5-a]pyridin-7-ol
CID 153343842
ethyl 2-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
CID 165131768
ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
CID 139487362
1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone
CID 165132661
[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate
CID 175507912

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate?
The IUPAC name of (Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate (CID 153344026) is (Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate.
What is the SMILES notation for (Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate?
The canonical SMILES for (Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate is C/C(N)=C/N(N)Cc1cn2cc(C3CC3)cc(Br)c2n1.CCOC=O.
What is the InChIKey of (Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate?
The InChIKey is BTUPKUPNCHCMFX-UYTGOYFPSA-N. The full InChI is InChI=1S/C14H18BrN5.C3H6O2/c1-9(16)5-20(17)8-12-7-19-6-11(10-2-3-10)4-13(15)14(19)18-12;1-2-5-3-4/h4-7,10H,2-3,8,16-17H2,1H3;3H,2H2,1H3/b9-5-;.
What are the key properties of (Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate?
(Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate has a molecular weight of 410.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate is sourced from PubChem (CID 153344026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).