methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate

C19H19N5O4 — CID 154847514

IUPACmethyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate
SMILESCOC(=O)c1cccc(OC2CCN(C(=O)c3nc4nccc(C)n4n3)C2)c1
InChIInChI=1S/C19H19N5O4/c1-12-6-8-20-19-21-16(22-24(12)19)17(25)23-9-7-15(11-23)28-14-5-3-4-13(10-14)18(26)27-2/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeyCKWHNXOUZHEJGL-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.51
Rot. Bonds4

About methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate

methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate (PubChem CID 154847514) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate
PubChem CID154847514
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Namemethyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate
SMILESCOC(=O)c1cccc(OC2CCN(C(=O)c3nc4nccc(C)n4n3)C2)c1
InChIInChI=1S/C19H19N5O4/c1-12-6-8-20-19-21-16(22-24(12)19)17(25)23-9-7-15(11-23)28-14-5-3-4-13(10-14)18(26)27-2/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeyCKWHNXOUZHEJGL-UHFFFAOYSA-N
XLogP1.51
TPSA98.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate with MolForge

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 66261903
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753890
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 95978646
(2,6-dimethylmorpholin-4-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 51172629
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100647018
methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 122256644
3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628058
N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17494544
N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47143299
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 18157985
3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
CID 118929960
N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 26251513

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate?
The IUPAC name of methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate (CID 154847514) is methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate.
What is the SMILES notation for methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate?
The canonical SMILES for methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate is COC(=O)c1cccc(OC2CCN(C(=O)c3nc4nccc(C)n4n3)C2)c1.
What is the InChIKey of methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate?
The InChIKey is CKWHNXOUZHEJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-12-6-8-20-19-21-16(22-24(12)19)17(25)23-9-7-15(11-23)28-14-5-3-4-13(10-14)18(26)27-2/h3-6,8,10,15H,7,9,11H2,1-2H3.
What are the key properties of methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate?
methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate has a molecular weight of 381.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]oxybenzoate is sourced from PubChem (CID 154847514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).