ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine

C38H41ClF2N10O6 — CID 160996772

IUPACethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine
SMILESCCOC(=O)c1cnn2ccc(Cl)nc12.CCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3OC)nc12.COc1ncc(F)cc1[C@H]1CCCN1
InChIInChI=1S/C19H20FN5O3.C10H13FN2O.C9H8ClN3O2/c1-3-28-19(26)14-11-22-25-8-6-16(23-17(14)25)24-7-4-5-15(24)13-9-12(20)10-21-18(13)27-2;1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9;1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13/h6,8-11,15H,3-5,7H2,1-2H3;5-6,9,12H,2-4H2,1H3;3-5H,2H2,1H3/t15-;9-;/m11./s1
InChIKeyTVIUGLMONSNILP-VMIGMULUSA-N
MW807.26 g/mol
LogP6.00
Rot. Bonds9

About ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine

ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine (PubChem CID 160996772) has the molecular formula C38H41ClF2N10O6 and a molecular weight of 807.26 g/mol. Its IUPAC name is ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Nameethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine
PubChem CID160996772
Molecular FormulaC38H41ClF2N10O6
Molecular Weight807.26 g/mol
Exact Mass806.29
IUPAC Nameethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine
SMILESCCOC(=O)c1cnn2ccc(Cl)nc12.CCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3OC)nc12.COc1ncc(F)cc1[C@H]1CCCN1
InChIInChI=1S/C19H20FN5O3.C10H13FN2O.C9H8ClN3O2/c1-3-28-19(26)14-11-22-25-8-6-16(23-17(14)25)24-7-4-5-15(24)13-9-12(20)10-21-18(13)27-2;1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9;1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13/h6,8-11,15H,3-5,7H2,1-2H3;5-6,9,12H,2-4H2,1H3;3-5H,2H2,1H3/t15-;9-;/m11./s1
InChIKeyTVIUGLMONSNILP-VMIGMULUSA-N
XLogP6.00
TPSA172.49 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500807.26
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine with MolForge

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Related Compounds

(R)-tert-butyl 3-(5-(2-(5-fluoro-2-methoxypyridin-3-yl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamido)propylcarbamate
CID 66848072
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500102
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, N-(1,6-dihydro-6-oxo-3-pyridinyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)-1-pyrrolidinyl]-
CID 67500484
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67502494
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67502811
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67502847
N-(1,2-dimethylimidazol-4-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49869801
(R)-N-tert-butyl-5-(2-(5-fluoro-2-methoxypyridin-3-yl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66847822
N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66847824
tert-butyl N-[3-[[5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]propyl]carbamate
CID 66848071
(R)-N-(2-chloro ethyl)-5-(2-(5-fluoro-2-methoxypyridin-3-yl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66852928
N-(2-chloroethyl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66852929

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine?
The IUPAC name of ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine (CID 160996772) is ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine.
What is the SMILES notation for ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine?
The canonical SMILES for ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine is CCOC(=O)c1cnn2ccc(Cl)nc12.CCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3OC)nc12.COc1ncc(F)cc1[C@H]1CCCN1.
What is the InChIKey of ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine?
The InChIKey is TVIUGLMONSNILP-VMIGMULUSA-N. The full InChI is InChI=1S/C19H20FN5O3.C10H13FN2O.C9H8ClN3O2/c1-3-28-19(26)14-11-22-25-8-6-16(23-17(14)25)24-7-4-5-15(24)13-9-12(20)10-21-18(13)27-2;1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9;1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13/h6,8-11,15H,3-5,7H2,1-2H3;5-6,9,12H,2-4H2,1H3;3-5H,2H2,1H3/t15-;9-;/m11./s1.
What are the key properties of ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine?
ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine has a molecular weight of 807.26 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 160996772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).