tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate

C26H30N6O3 — CID 66585065

IUPACtert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCNc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C26H30N6O3/c1-26(2,3)35-24(33)8-9-27-22-15-23(31-10-12-34-13-11-31)30-25-20(17-29-32(22)25)19-14-18-6-4-5-7-21(18)28-16-19/h4-7,14-17,27H,8-13H2,1-3H3
InChIKeyFVGFNCFLGQXUTR-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.92
Rot. Bonds6

About tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate

tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate (PubChem CID 66585065) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
PubChem CID66585065
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Nametert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCNc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C26H30N6O3/c1-26(2,3)35-24(33)8-9-27-22-15-23(31-10-12-34-13-11-31)30-25-20(17-29-32(22)25)19-14-18-6-4-5-7-21(18)28-16-19/h4-7,14-17,27H,8-13H2,1-3H3
InChIKeyFVGFNCFLGQXUTR-UHFFFAOYSA-N
XLogP3.92
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
The IUPAC name of tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate (CID 66585065) is tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate is CC(C)(C)OC(=O)CCNc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
The InChIKey is FVGFNCFLGQXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-26(2,3)35-24(33)8-9-27-22-15-23(31-10-12-34-13-11-31)30-25-20(17-29-32(22)25)19-14-18-6-4-5-7-21(18)28-16-19/h4-7,14-17,27H,8-13H2,1-3H3.
What are the key properties of tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate has a molecular weight of 474.57 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate is sourced from PubChem (CID 66585065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).