methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate

C22H26N4O5 — CID 33448020

IUPACmethyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCc2c(C)nc3cc(C)nn3c2C)c1C
InChIInChI=1S/C22H26N4O5/c1-11-9-18-23-13(3)16(15(5)26(18)25-11)7-8-19(28)31-10-17(27)21-12(2)20(14(4)24-21)22(29)30-6/h9,24H,7-8,10H2,1-6H3
InChIKeyOKOWSMJSZSCLJB-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.74
Rot. Bonds7

About methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate

methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate (PubChem CID 33448020) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate
PubChem CID33448020
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Namemethyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCc2c(C)nc3cc(C)nn3c2C)c1C
InChIInChI=1S/C22H26N4O5/c1-11-9-18-23-13(3)16(15(5)26(18)25-11)7-8-19(28)31-10-17(27)21-12(2)20(14(4)24-21)22(29)30-6/h9,24H,7-8,10H2,1-6H3
InChIKeyOKOWSMJSZSCLJB-UHFFFAOYSA-N
XLogP2.74
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 46673264
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 8783019
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 8783044
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 33447585
2-(4-methylphenoxy)ethyl 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 8783057
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 33446336
[2-(3-chloroanilino)-2-oxoethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 8782929
methyl 2,4-dimethyl-5-[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate
CID 30026362
(6-chloro-3-pyridinyl)methyl 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 30699981
methyl 2,4-dimethyl-5-[2-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate
CID 42316910
[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 17430026
N-[2-(methylamino)-2-oxoethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 32559039

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate (CID 33448020) is methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCc2c(C)nc3cc(C)nn3c2C)c1C.
What is the InChIKey of methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate?
The InChIKey is OKOWSMJSZSCLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-11-9-18-23-13(3)16(15(5)26(18)25-11)7-8-19(28)31-10-17(27)21-12(2)20(14(4)24-21)22(29)30-6/h9,24H,7-8,10H2,1-6H3.
What are the key properties of methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate?
methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate has a molecular weight of 426.47 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-5-[2-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 33448020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).