ethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C19H28N6O3 — CID 134480586

IUPACethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(NCCN2CCOCC2)nn2ccc(N3CCCC3)nc12
InChIInChI=1S/C19H28N6O3/c1-2-28-19(26)16-17(20-6-10-23-11-13-27-14-12-23)22-25-9-5-15(21-18(16)25)24-7-3-4-8-24/h5,9H,2-4,6-8,10-14H2,1H3,(H,20,22)
InChIKeySVKPNYTXNZHYRP-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.25
Rot. Bonds7

About ethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 134480586) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is ethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID134480586
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Nameethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(NCCN2CCOCC2)nn2ccc(N3CCCC3)nc12
InChIInChI=1S/C19H28N6O3/c1-2-28-19(26)16-17(20-6-10-23-11-13-27-14-12-23)22-25-9-5-15(21-18(16)25)24-7-3-4-8-24/h5,9H,2-4,6-8,10-14H2,1H3,(H,20,22)
InChIKeySVKPNYTXNZHYRP-UHFFFAOYSA-N
XLogP1.25
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 134480586) is ethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(NCCN2CCOCC2)nn2ccc(N3CCCC3)nc12.
What is the InChIKey of ethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is SVKPNYTXNZHYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-2-28-19(26)16-17(20-6-10-23-11-13-27-14-12-23)22-25-9-5-15(21-18(16)25)24-7-3-4-8-24/h5,9H,2-4,6-8,10-14H2,1H3,(H,20,22).
What are the key properties of ethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-morpholin-4-ylethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 134480586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).