ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate

C23H29N5O3 — CID 5307440

IUPACethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(C)nc3c(-c4ccccc4OC)c(C)nn23)CC1
InChIInChI=1S/C23H29N5O3/c1-5-31-23(29)27-12-10-17(11-13-27)25-20-14-15(2)24-22-21(16(3)26-28(20)22)18-8-6-7-9-19(18)30-4/h6-9,14,17,25H,5,10-13H2,1-4H3
InChIKeyHECOGNUYKKKGGV-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.05
Rot. Bonds5

About ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate

ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate (PubChem CID 5307440) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
PubChem CID5307440
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Nameethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(C)nc3c(-c4ccccc4OC)c(C)nn23)CC1
InChIInChI=1S/C23H29N5O3/c1-5-31-23(29)27-12-10-17(11-13-27)25-20-14-15(2)24-22-21(16(3)26-28(20)22)18-8-6-7-9-19(18)30-4/h6-9,14,17,25H,5,10-13H2,1-4H3
InChIKeyHECOGNUYKKKGGV-UHFFFAOYSA-N
XLogP4.05
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

Pexacerfont
CID 9884366
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759
Pyrazolo[1,5-a]-1,3,5-triazine, 12-15
CID 42618178
Pyrazolo[1,5-a]-1,3,5-triazin-4-amine,8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1S)-1-methylpropyl]-
CID 42618221
5-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186487
2-(5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625545
N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
Pyrazolo[1,5-a]-1,3,5-triazine, 12-16
CID 9820671
Pyrazolo[1,5-a]-1,3,5-triazine, 12-1
CID 42618165
Pyrazolo[1,5-a]-1,3,5-triazine, 12-2
CID 42618166

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate (CID 5307440) is ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(C)nc3c(-c4ccccc4OC)c(C)nn23)CC1.
What is the InChIKey of ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate?
The InChIKey is HECOGNUYKKKGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-5-31-23(29)27-12-10-17(11-13-27)25-20-14-15(2)24-22-21(16(3)26-28(20)22)18-8-6-7-9-19(18)30-4/h6-9,14,17,25H,5,10-13H2,1-4H3.
What are the key properties of ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate has a molecular weight of 423.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 5307440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).