tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate

C21H28N6O5 — CID 164901899

IUPACtert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1c(=O)nc(NNC(=O)C2CC2)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C21H28N6O5/c1-21(2,3)32-16(28)12-27-15-10-14(26-6-8-31-9-7-26)11-22-17(15)18(23-20(27)30)24-25-19(29)13-4-5-13/h10-11,13H,4-9,12H2,1-3H3,(H,25,29)(H,23,24,30)
InChIKeyYGHLPARCPGVJAO-UHFFFAOYSA-N
MW444.49 g/mol
LogP0.82
Rot. Bonds6

About tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate

tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate (PubChem CID 164901899) has the molecular formula C21H28N6O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate
PubChem CID164901899
Molecular FormulaC21H28N6O5
Molecular Weight444.49 g/mol
Exact Mass444.21
IUPAC Nametert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1c(=O)nc(NNC(=O)C2CC2)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C21H28N6O5/c1-21(2,3)32-16(28)12-27-15-10-14(26-6-8-31-9-7-26)11-22-17(15)18(23-20(27)30)24-25-19(29)13-4-5-13/h10-11,13H,4-9,12H2,1-3H3,(H,25,29)(H,23,24,30)
InChIKeyYGHLPARCPGVJAO-UHFFFAOYSA-N
XLogP0.82
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate (CID 164901899) is tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate is CC(C)(C)OC(=O)Cn1c(=O)nc(NNC(=O)C2CC2)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate?
The InChIKey is YGHLPARCPGVJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O5/c1-21(2,3)32-16(28)12-27-15-10-14(26-6-8-31-9-7-26)11-22-17(15)18(23-20(27)30)24-25-19(29)13-4-5-13/h10-11,13H,4-9,12H2,1-3H3,(H,25,29)(H,23,24,30).
What are the key properties of tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate?
tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate has a molecular weight of 444.49 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate is sourced from PubChem (CID 164901899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).