tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate

C17H23ClN4O3 — CID 129072396

IUPACtert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCN1CCOCC1Cc1c(C(=O)OC(C)(C)C)cnc2cc(Cl)nn12
InChIInChI=1S/C17H23ClN4O3/c1-17(2,3)25-16(23)12-9-19-15-8-14(18)20-22(15)13(12)7-11-10-24-6-5-21(11)4/h8-9,11H,5-7,10H2,1-4H3
InChIKeyKERMEAMNXKSCPF-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.21
Rot. Bonds3

About tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate

tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 129072396) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID129072396
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Nametert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCN1CCOCC1Cc1c(C(=O)OC(C)(C)C)cnc2cc(Cl)nn12
InChIInChI=1S/C17H23ClN4O3/c1-17(2,3)25-16(23)12-9-19-15-8-14(18)20-22(15)13(12)7-11-10-24-6-5-21(11)4/h8-9,11H,5-7,10H2,1-4H3
InChIKeyKERMEAMNXKSCPF-UHFFFAOYSA-N
XLogP2.21
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 118540100
tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 142343536
tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 159288177
2-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 52987939
tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate
CID 177253416
tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate
CID 67185751
2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3439504
tert-butyl 2-chloro-5-(methylcarbamoyl)pyridine-4-carboxylate
CID 167022667
tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate
CID 164532532
tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate
CID 146014037
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 44558094
3-[(4-methylmorpholin-3-yl)methoxy]-5-(5-methyl-1,3-thiazol-2-yl)benzoic acid
CID 147768536

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 129072396) is tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate is CN1CCOCC1Cc1c(C(=O)OC(C)(C)C)cnc2cc(Cl)nn12.
What is the InChIKey of tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is KERMEAMNXKSCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3/c1-17(2,3)25-16(23)12-9-19-15-8-14(18)20-22(15)13(12)7-11-10-24-6-5-21(11)4/h8-9,11H,5-7,10H2,1-4H3.
What are the key properties of tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 366.85 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-chloro-7-[(4-methylmorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 129072396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).