3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C73H89ClF3N21O13 — CID 159924131

About 3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159924131) has the molecular formula C73H89ClF3N21O13 and a molecular weight of 1561.10 g/mol. Its IUPAC name is 3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 159924131
• Molecular Formula: C73H89ClF3N21O13
• Molecular Weight: 1561.10 g/mol
• Exact Mass: 1559.66
• IUPAC Name: 3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CC(F)C3)c2=O)nc2c(C(=O)NC3C[C@H]3OC)cnn12.CO[C@@H]1CC1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(C4CC(F)C4)c3=O)nc12.CO[C@H]1CC1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.Nc1cccn(C2CC(F)C2)c1=O
• InChI: InChI=1S/C26H32FN7O5.C21H24FN7O3.C17H22ClN5O4.C9H11FN2O/c1-26(2,3)39-25(37)32(4)21-12-20(29-17-7-6-8-33(24(17)36)15-9-14(27)10-15)31-22-16(13-28-34(21)22)23(35)30-18-11-19(18)38-5;1-23-18-9-17(25-14-4-3-5-28(21(14)31)12-6-11(22)7-12)27-19-13(10-24-29(18)19)20(30)26-15-8-16(15)32-2;1-17(2,3)27-16(25)22(4)13-7-12(18)21-14-9(8-19-23(13)14)15(24)20-10-6-11(10)26-5;10-6-4-7(5-6)12-3-1-2-8(11)9(12)13/h6-8,12-15,18-19H,9-11H2,1-5H3,(H,29,31)(H,30,35);3-5,9-12,15-16,23H,6-8H2,1-2H3,(H,25,27)(H,26,30);7-8,10-11H,6H2,1-5H3,(H,20,24);1-3,6-7H,4-5,11H2/t14?,15?,18?,19-;11?,12?,15?,16-;10?,11-;/m110./s1
• InChIKey: NYUDNVNTEOJKOI-BWIKSQKTSA-N
• XLogP: 8.44
• TPSA: 392.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1561.10
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159924131) is 3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CC(F)C3)c2=O)nc2c(C(=O)NC3C[C@H]3OC)cnn12.CO[C@@H]1CC1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(C4CC(F)C4)c3=O)nc12.CO[C@H]1CC1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.Nc1cccn(C2CC(F)C2)c1=O.

What is the InChIKey of 3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is NYUDNVNTEOJKOI-BWIKSQKTSA-N. The full InChI is InChI=1S/C26H32FN7O5.C21H24FN7O3.C17H22ClN5O4.C9H11FN2O/c1-26(2,3)39-25(37)32(4)21-12-20(29-17-7-6-8-33(24(17)36)15-9-14(27)10-15)31-22-16(13-28-34(21)22)23(35)30-18-11-19(18)38-5;1-23-18-9-17(25-14-4-3-5-28(21(14)31)12-6-11(22)7-12)27-19-13(10-24-29(18)19)20(30)26-15-8-16(15)32-2;1-17(2,3)27-16(25)22(4)13-7-12(18)21-14-9(8-19-23(13)14)15(24)20-10-6-11(10)26-5;10-6-4-7(5-6)12-3-1-2-8(11)9(12)13/h6-8,12-15,18-19H,9-11H2,1-5H3,(H,29,31)(H,30,35);3-5,9-12,15-16,23H,6-8H2,1-2H3,(H,25,27)(H,26,30);7-8,10-11H,6H2,1-5H3,(H,20,24);1-3,6-7H,4-5,11H2/t14?,15?,18?,19-;11?,12?,15?,16-;10?,11-;/m110./s1.

What are the key properties of 3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1561.10 g/mol, XLogP of 8.44, 19 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-(3-fluorocyclobutyl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(2S)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-methoxycyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159924131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).