19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine

C74H81ClF4N26O11 — CID 159729137

About 19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine

19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine (PubChem CID 159729137) has the molecular formula C74H81ClF4N26O11 and a molecular weight of 1622.08 g/mol. Its IUPAC name is 19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine.

Molecular Properties

• Compound Name: 19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine
• PubChem CID: 159729137
• Molecular Formula: C74H81ClF4N26O11
• Molecular Weight: 1622.08 g/mol
• Exact Mass: 1620.62
• IUPAC Name: 19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine
• SMILES: CCOC(=O)c1c(N)nn2ccc(Cl)nc12.CCOC(=O)c1c(N)nn2ccc(N3CCCC3c3cc(F)cnc3OC)nc12.COc1ncc(F)cc1C1CCCN1.Nc1nn2ccc(N3CCCC3c3cc(F)c[nH]c3=O)nc2c1C(=O)NCCO.Nc1nn2ccc3nc2c1C(=O)NCCOc1ncc(F)cc1C1CCCN31
• InChI: InChI=1S/C19H21FN6O3.C18H20FN7O3.C18H18FN7O2.C10H13FN2O.C9H9ClN4O2/c1-3-29-19(27)15-16(21)24-26-8-6-14(23-17(15)26)25-7-4-5-13(25)12-9-11(20)10-22-18(12)28-2;19-10-8-11(17(28)22-9-10)12-2-1-5-25(12)13-3-6-26-16(23-13)14(15(20)24-26)18(29)21-4-7-27;19-10-8-11-12-2-1-5-25(12)13-3-6-26-16(23-13)14(15(20)24-26)17(27)21-4-7-28-18(11)22-9-10;1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9;1-2-16-9(15)6-7(11)13-14-4-3-5(10)12-8(6)14/h6,8-10,13H,3-5,7H2,1-2H3,(H2,21,24);3,6,8-9,12,27H,1-2,4-5,7H2,(H2,20,24)(H,21,29)(H,22,28);3,6,8-9,12H,1-2,4-5,7H2,(H2,20,24)(H,21,27);5-6,9,12H,2-4H2,1H3;3-4H,2H2,1H3,(H2,11,13)
• InChIKey: NBAAOGADJJFDIO-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 476.84 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1622.08
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine?

The IUPAC name of 19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine (CID 159729137) is 19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine.

What is the SMILES notation for 19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine?

The canonical SMILES for 19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine is CCOC(=O)c1c(N)nn2ccc(Cl)nc12.CCOC(=O)c1c(N)nn2ccc(N3CCCC3c3cc(F)cnc3OC)nc12.COc1ncc(F)cc1C1CCCN1.Nc1nn2ccc(N3CCCC3c3cc(F)c[nH]c3=O)nc2c1C(=O)NCCO.Nc1nn2ccc3nc2c1C(=O)NCCOc1ncc(F)cc1C1CCCN31.

What is the InChIKey of 19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine?

The InChIKey is NBAAOGADJJFDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O3.C18H20FN7O3.C18H18FN7O2.C10H13FN2O.C9H9ClN4O2/c1-3-29-19(27)15-16(21)24-26-8-6-14(23-17(15)26)25-7-4-5-13(25)12-9-11(20)10-22-18(12)28-2;19-10-8-11(17(28)22-9-10)12-2-1-5-25(12)13-3-6-26-16(23-13)14(15(20)24-26)18(29)21-4-7-27;19-10-8-11-12-2-1-5-25(12)13-3-6-26-16(23-13)14(15(20)24-26)17(27)21-4-7-28-18(11)22-9-10;1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9;1-2-16-9(15)6-7(11)13-14-4-3-5(10)12-8(6)14/h6,8-10,13H,3-5,7H2,1-2H3,(H2,21,24);3,6,8-9,12,27H,1-2,4-5,7H2,(H2,20,24)(H,21,29)(H,22,28);3,6,8-9,12H,1-2,4-5,7H2,(H2,20,24)(H,21,27);5-6,9,12H,2-4H2,1H3;3-4H,2H2,1H3,(H2,11,13).

What are the key properties of 19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine?

19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine has a molecular weight of 1622.08 g/mol, XLogP of 6.68, 14 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 19-amino-9-fluoro-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;2-amino-5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine is sourced from PubChem (CID 159729137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).