3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C85H116ClF3N24O13 — CID 159472150

About 3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159472150) has the molecular formula C85H116ClF3N24O13 and a molecular weight of 1774.46 g/mol. Its IUPAC name is 3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 159472150
• Molecular Formula: C85H116ClF3N24O13
• Molecular Weight: 1774.46 g/mol
• Exact Mass: 1772.88
• IUPAC Name: 3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CCN(CCF)CC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(C4CCN(CCF)CC4)c3=O)nc12.Nc1cccn(C2CCN(CCF)CC2)c1=O
• InChI: InChI=1S/C30H41FN8O5.C25H33FN8O3.C18H24ClN5O4.C12H18FN3O/c1-30(2,3)44-29(42)36(4)25-17-24(35-26-20(18-32-39(25)26)27(40)34-21-8-9-23(21)43-5)33-22-7-6-13-38(28(22)41)19-10-14-37(15-11-19)16-12-31;1-27-22-14-21(31-23-17(15-28-34(22)23)24(35)30-18-5-6-20(18)37-2)29-19-4-3-10-33(25(19)36)16-7-11-32(12-8-16)13-9-26;1-18(2,3)28-17(26)23(4)14-8-13(19)22-15-10(9-20-24(14)15)16(25)21-11-6-7-12(11)27-5;13-5-9-15-7-3-10(4-8-15)16-6-1-2-11(14)12(16)17/h6-7,13,17-19,21,23H,8-12,14-16H2,1-5H3,(H,33,35)(H,34,40);3-4,10,14-16,18,20,27H,5-9,11-13H2,1-2H3,(H,29,31)(H,30,35);8-9,11-12H,6-7H2,1-5H3,(H,21,25);1-2,6,10H,3-5,7-9,14H2/t21-,23-;18-,20-;11-,12-;/m111./s1
• InChIKey: LVYAZRCJFVWEBX-PNEAWKRRSA-N
• XLogP: 9.41
• TPSA: 402.47 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1774.46
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159472150) is 3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCN(CCF)CC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(C4CCN(CCF)CC4)c3=O)nc12.Nc1cccn(C2CCN(CCF)CC2)c1=O.

What is the InChIKey of 3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is LVYAZRCJFVWEBX-PNEAWKRRSA-N. The full InChI is InChI=1S/C30H41FN8O5.C25H33FN8O3.C18H24ClN5O4.C12H18FN3O/c1-30(2,3)44-29(42)36(4)25-17-24(35-26-20(18-32-39(25)26)27(40)34-21-8-9-23(21)43-5)33-22-7-6-13-38(28(22)41)19-10-14-37(15-11-19)16-12-31;1-27-22-14-21(31-23-17(15-28-34(22)23)24(35)30-18-5-6-20(18)37-2)29-19-4-3-10-33(25(19)36)16-7-11-32(12-8-16)13-9-26;1-18(2,3)28-17(26)23(4)14-8-13(19)22-15-10(9-20-24(14)15)16(25)21-11-6-7-12(11)27-5;13-5-9-15-7-3-10(4-8-15)16-6-1-2-11(14)12(16)17/h6-7,13,17-19,21,23H,8-12,14-16H2,1-5H3,(H,33,35)(H,34,40);3-4,10,14-16,18,20,27H,5-9,11-13H2,1-2H3,(H,29,31)(H,30,35);8-9,11-12H,6-7H2,1-5H3,(H,21,25);1-2,6,10H,3-5,7-9,14H2/t21-,23-;18-,20-;11-,12-;/m111./s1.

What are the key properties of 3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1774.46 g/mol, XLogP of 9.41, 25 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159472150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).