methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate

C17H15F2N5O3 — CID 146089709

IUPACmethyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1ccc2nnnn2c1
InChIInChI=1S/C17H15F2N5O3/c1-27-15(25)7-8-23(9-11-3-2-4-13(18)16(11)19)17(26)12-5-6-14-20-21-22-24(14)10-12/h2-6,10H,7-9H2,1H3
InChIKeyFUGHSPSMISHPKR-UHFFFAOYSA-N
MW375.34 g/mol
LogP1.61
Rot. Bonds6

About methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate

methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate (PubChem CID 146089709) has the molecular formula C17H15F2N5O3 and a molecular weight of 375.34 g/mol. Its IUPAC name is methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate
PubChem CID146089709
Molecular FormulaC17H15F2N5O3
Molecular Weight375.34 g/mol
Exact Mass375.11
IUPAC Namemethyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1ccc2nnnn2c1
InChIInChI=1S/C17H15F2N5O3/c1-27-15(25)7-8-23(9-11-3-2-4-13(18)16(11)19)17(26)12-5-6-14-20-21-22-24(14)10-12/h2-6,10H,7-9H2,1H3
InChIKeyFUGHSPSMISHPKR-UHFFFAOYSA-N
XLogP1.61
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate with MolForge

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 70719847
ethyl 3-[(2,3-difluorophenyl)methyl-methylamino]propanoate
CID 62012016
methyl 3-[(3-cyano-2-fluorophenyl)methyl-ethylamino]propanoate
CID 103912107
methyl 4-(2,3-difluorophenyl)-3-oxobutanoate
CID 45156338
methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate
CID 54898552
methyl 3-[benzyl-[1-(4-chlorophenyl)pyrazole-4-carbonyl]amino]propanoate
CID 55776158
3-[(2,3-difluorophenyl)methyl-[(3S)-oxolane-3-carbonyl]amino]propanoic acid
CID 124704329
3-[(4-bromo-1H-pyrrole-2-carbonyl)-[(2,3-difluorophenyl)methyl]amino]propanoic acid
CID 75400944
3-[[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]-[(2,3-difluorophenyl)methyl]amino]propanoic acid
CID 124704203
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
methyl 3-[benzyl-[3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoyl]amino]propanoate
CID 55513921
3-[(2,3-difluorophenyl)methyl-(oxane-4-carbonyl)amino]propanoic acid
CID 119212482

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate (CID 146089709) is methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate is COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1ccc2nnnn2c1.
What is the InChIKey of methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate?
The InChIKey is FUGHSPSMISHPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O3/c1-27-15(25)7-8-23(9-11-3-2-4-13(18)16(11)19)17(26)12-5-6-14-20-21-22-24(14)10-12/h2-6,10H,7-9H2,1H3.
What are the key properties of methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate?
methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate has a molecular weight of 375.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,3-difluorophenyl)methyl-(tetrazolo[1,5-a]pyridine-6-carbonyl)amino]propanoate is sourced from PubChem (CID 146089709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).