tert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate

C19H26BrN7O3 — CID 71207636

IUPACtert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate
SMILESCN1CC(c2cnn3c(N)c(Br)c(C4CN(C(=O)OC(C)(C)C)CCO4)nc23)C=N1
InChIInChI=1S/C19H26BrN7O3/c1-19(2,3)30-18(28)26-5-6-29-13(10-26)15-14(20)16(21)27-17(24-15)12(8-23-27)11-7-22-25(4)9-11/h7-8,11,13H,5-6,9-10,21H2,1-4H3
InChIKeyQSKXBZTZSDLEEZ-UHFFFAOYSA-N
MW480.37 g/mol
LogP2.40
Rot. Bonds2

About tert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate

tert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate (PubChem CID 71207636) has the molecular formula C19H26BrN7O3 and a molecular weight of 480.37 g/mol. Its IUPAC name is tert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate
PubChem CID71207636
Molecular FormulaC19H26BrN7O3
Molecular Weight480.37 g/mol
Exact Mass479.13
IUPAC Nametert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate
SMILESCN1CC(c2cnn3c(N)c(Br)c(C4CN(C(=O)OC(C)(C)C)CCO4)nc23)C=N1
InChIInChI=1S/C19H26BrN7O3/c1-19(2,3)30-18(28)26-5-6-29-13(10-26)15-14(20)16(21)27-17(24-15)12(8-23-27)11-7-22-25(4)9-11/h7-8,11,13H,5-6,9-10,21H2,1-4H3
InChIKeyQSKXBZTZSDLEEZ-UHFFFAOYSA-N
XLogP2.40
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
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CID 89145759
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CID 118023184
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tert-butyl 2-(1-hydroxypyridin-1-ium-4-yl)morpholine-4-carboxylate
CID 176950779
tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate
CID 71108439
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate (CID 71207636) is tert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate is CN1CC(c2cnn3c(N)c(Br)c(C4CN(C(=O)OC(C)(C)C)CCO4)nc23)C=N1.
What is the InChIKey of tert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate?
The InChIKey is QSKXBZTZSDLEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN7O3/c1-19(2,3)30-18(28)26-5-6-29-13(10-26)15-14(20)16(21)27-17(24-15)12(8-23-27)11-7-22-25(4)9-11/h7-8,11,13H,5-6,9-10,21H2,1-4H3.
What are the key properties of tert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate?
tert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate has a molecular weight of 480.37 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[7-amino-6-bromo-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine-4-carboxylate is sourced from PubChem (CID 71207636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).