ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine

C60H58F3N13O7 — CID 158016377

IUPACethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCCOC(=O)C(N)c1ccccn1.CCOC(=O)C(NC(=O)Cc1ccccc1F)c1ccccn1.CCOC(=O)c1nc(Cc2ccccc2F)n2ccccc12.Nc1nc(N)nc(-c2nc(Cc3ccccc3F)n3ccccc23)n1
InChIInChI=1S/C17H14FN7.C17H17FN2O3.C17H15FN2O2.C9H12N2O2/c18-11-6-2-1-5-10(11)9-13-21-14(12-7-3-4-8-25(12)13)15-22-16(19)24-17(20)23-15;1-2-23-17(22)16(14-9-5-6-10-19-14)20-15(21)11-12-7-3-4-8-13(12)18;1-2-22-17(21)16-14-9-5-6-10-20(14)15(19-16)11-12-7-3-4-8-13(12)18;1-2-13-9(12)8(10)7-5-3-4-6-11-7/h1-8H,9H2,(H4,19,20,22,23,24);3-10,16H,2,11H2,1H3,(H,20,21);3-10H,2,11H2,1H3;3-6,8H,2,10H2,1H3
InChIKeyFFNCJZNWWKEZDB-UHFFFAOYSA-N
MW1130.20 g/mol
LogP8.15
Rot. Bonds16

About ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine

ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 158016377) has the molecular formula C60H58F3N13O7 and a molecular weight of 1130.20 g/mol. Its IUPAC name is ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Nameethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID158016377
Molecular FormulaC60H58F3N13O7
Molecular Weight1130.20 g/mol
Exact Mass1129.45
IUPAC Nameethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCCOC(=O)C(N)c1ccccn1.CCOC(=O)C(NC(=O)Cc1ccccc1F)c1ccccn1.CCOC(=O)c1nc(Cc2ccccc2F)n2ccccc12.Nc1nc(N)nc(-c2nc(Cc3ccccc3F)n3ccccc23)n1
InChIInChI=1S/C17H14FN7.C17H17FN2O3.C17H15FN2O2.C9H12N2O2/c18-11-6-2-1-5-10(11)9-13-21-14(12-7-3-4-8-25(12)13)15-22-16(19)24-17(20)23-15;1-2-23-17(22)16(14-9-5-6-10-19-14)20-15(21)11-12-7-3-4-8-13(12)18;1-2-22-17(21)16-14-9-5-6-10-20(14)15(19-16)11-12-7-3-4-8-13(12)18;1-2-13-9(12)8(10)7-5-3-4-6-11-7/h1-8H,9H2,(H4,19,20,22,23,24);3-10,16H,2,11H2,1H3,(H,20,21);3-10H,2,11H2,1H3;3-6,8H,2,10H2,1H3
InChIKeyFFNCJZNWWKEZDB-UHFFFAOYSA-N
XLogP8.15
TPSA285.11 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001130.20
LogP ≤ 58.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

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methyl (2S)-3-[[3-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]benzoyl]amino]-2-(phenylmethoxycarbonylamino)propanoate
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PSJ-2510-up
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CID 26222512
methyl 3-(benzoylamino)-1-(tetrahydro-2-furanylmethyl)-5-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
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methyl 5-[(1-acetylpiperidin-4-yl)amino]-3-[[(2S)-oxolane-2-carbonyl]amino]-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26224912
methyl 3-benzamido-5-[(3,4-difluorophenyl)methylamino]-1-[[(2R)-oxolan-2-yl]methyl]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26229235
methyl 5-[(2,3-difluorobenzyl)amino]-3-[(2-methylbutanoyl)amino]-1-(tetrahydro-2-furanylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 45160145
methyl 1-[2-(1H-indol-3-yl)ethyl]-5-[(1-isopropyl-4-piperidinyl)amino]-3-[(3-methoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
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methyl 3-[6-fluoro-3-{cis-4-[(imidazo[1,2-a]pyridin-2-ylcarbonyl)amino]cyclohexyl}-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl]benzoate
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CID 45278959
6-[[(2S)-2-cyclohexyl-2-[5,6-difluoro-2-[(S)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetyl]amino]pyridine-3-carboxylic acid
CID 45278960

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine (CID 158016377) is ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine is CCOC(=O)C(N)c1ccccn1.CCOC(=O)C(NC(=O)Cc1ccccc1F)c1ccccn1.CCOC(=O)c1nc(Cc2ccccc2F)n2ccccc12.Nc1nc(N)nc(-c2nc(Cc3ccccc3F)n3ccccc23)n1.
What is the InChIKey of ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FFNCJZNWWKEZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7.C17H17FN2O3.C17H15FN2O2.C9H12N2O2/c18-11-6-2-1-5-10(11)9-13-21-14(12-7-3-4-8-25(12)13)15-22-16(19)24-17(20)23-15;1-2-23-17(22)16(14-9-5-6-10-19-14)20-15(21)11-12-7-3-4-8-13(12)18;1-2-22-17(21)16-14-9-5-6-10-20(14)15(19-16)11-12-7-3-4-8-13(12)18;1-2-13-9(12)8(10)7-5-3-4-6-11-7/h1-8H,9H2,(H4,19,20,22,23,24);3-10,16H,2,11H2,1H3,(H,20,21);3-10H,2,11H2,1H3;3-6,8H,2,10H2,1H3.
What are the key properties of ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine?
ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1130.20 g/mol, XLogP of 8.15, 16 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158016377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).