tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate

C20H29N5O3 — CID 129029841

IUPACtert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cncc2c1N=C(N1CCOCC1)CN2
InChIInChI=1S/C20H29N5O3/c1-20(2,3)28-19(26)25-6-4-5-16(25)14-11-21-12-15-18(14)23-17(13-22-15)24-7-9-27-10-8-24/h11-12,16,22H,4-10,13H2,1-3H3
InChIKeyNMPILHGVOKIZON-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.94
Rot. Bonds1

About tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate (PubChem CID 129029841) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate
PubChem CID129029841
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Nametert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cncc2c1N=C(N1CCOCC1)CN2
InChIInChI=1S/C20H29N5O3/c1-20(2,3)28-19(26)25-6-4-5-16(25)14-11-21-12-15-18(14)23-17(13-22-15)24-7-9-27-10-8-24/h11-12,16,22H,4-10,13H2,1-3H3
InChIKeyNMPILHGVOKIZON-UHFFFAOYSA-N
XLogP2.94
TPSA79.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate (CID 129029841) is tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1cncc2c1N=C(N1CCOCC1)CN2.
What is the InChIKey of tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate?
The InChIKey is NMPILHGVOKIZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-20(2,3)28-19(26)25-6-4-5-16(25)14-11-21-12-15-18(14)23-17(13-22-15)24-7-9-27-10-8-24/h11-12,16,22H,4-10,13H2,1-3H3.
What are the key properties of tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 129029841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).