ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate

C16H19N5O3 — CID 150821073

IUPACethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate
SMILESCCOC(=O)C(N)=NNC(=O)Cc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C16H19N5O3/c1-2-24-16(23)15(17)20-19-14(22)7-12-9-21-8-11(10-3-4-10)5-6-13(21)18-12/h5-6,8-10H,2-4,7H2,1H3,(H2,17,20)(H,19,22)
InChIKeyKJYDXUZZOAOTDN-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.71
Rot. Bonds5

About ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate

ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate (PubChem CID 150821073) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate
PubChem CID150821073
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Nameethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate
SMILESCCOC(=O)C(N)=NNC(=O)Cc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C16H19N5O3/c1-2-24-16(23)15(17)20-19-14(22)7-12-9-21-8-11(10-3-4-10)5-6-13(21)18-12/h5-6,8-10H,2-4,7H2,1H3,(H2,17,20)(H,19,22)
InChIKeyKJYDXUZZOAOTDN-UHFFFAOYSA-N
XLogP0.71
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487437
ethane;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 156707965
ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate
CID 165130837
(Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one
CID 175622793
methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487985
4-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-6-methoxypyridine-2,4-diamine
CID 165133240
(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate
CID 175511413
(6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175511414
2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoroacetamide
CID 151599463
3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-6-[[4-(N'-hydroxycarbamimidoyl)-2,6-dimethylphenyl]methylamino]pyrimidin-2-yl]propanoic acid;formic acid
CID 174202940
(1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 175507744
[N'-[[4-[[[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]amino]methyl]-3,5-dimethylphenyl]methyl]carbamimidoyl]oxymethyl acetate
CID 170695370

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate?
The IUPAC name of ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate (CID 150821073) is ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate.
What is the SMILES notation for ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate?
The canonical SMILES for ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate is CCOC(=O)C(N)=NNC(=O)Cc1cn2cc(C3CC3)ccc2n1.
What is the InChIKey of ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate?
The InChIKey is KJYDXUZZOAOTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-2-24-16(23)15(17)20-19-14(22)7-12-9-21-8-11(10-3-4-10)5-6-13(21)18-12/h5-6,8-10H,2-4,7H2,1H3,(H2,17,20)(H,19,22).
What are the key properties of ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate?
ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate has a molecular weight of 329.36 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate is sourced from PubChem (CID 150821073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).