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

C79H104ClN21O16 — CID 158243707

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

3-amino-1-[(3S)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158243707) has the molecular formula C79H104ClN21O16 and a molecular weight of 1639.28 g/mol. Its IUPAC name is 3-amino-1-[(3S)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 3-amino-1-[(3S)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158243707
• Molecular Formula: C79H104ClN21O16
• Molecular Weight: 1639.28 g/mol
• Exact Mass: 1637.77
• IUPAC Name: 3-amino-1-[(3S)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@H]3CCCOC3)c2=O)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.CNc1cc(Nc2cccn([C@H]3CCCOC3)c2=O)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.Nc1cccn([C@H]2CCCOC2)c1=O
• InChI: InChI=1S/C28H37N7O6.C23H29N7O4.C18H24ClN5O4.C10H14N2O2/c1-28(2,3)41-27(39)33(4)23-14-22(31-21-8-5-11-34(26(21)38)18-7-6-12-40-16-18)32-24-20(15-29-35(23)24)25(37)30-17-9-10-19(36)13-17;1-24-20-11-19(27-18-5-2-8-29(23(18)33)15-4-3-9-34-13-15)28-21-17(12-25-30(20)21)22(32)26-14-6-7-16(31)10-14;1-18(2,3)28-17(27)23(4)14-8-13(19)22-15-12(9-20-24(14)15)16(26)21-10-5-6-11(25)7-10;11-9-4-1-5-12(10(9)13)8-3-2-6-14-7-8/h5,8,11,14-15,17-19,36H,6-7,9-10,12-13,16H2,1-4H3,(H,30,37)(H,31,32);2,5,8,11-12,14-16,24,31H,3-4,6-7,9-10,13H2,1H3,(H,26,32)(H,27,28);8-11,25H,5-7H2,1-4H3,(H,21,26);1,4-5,8H,2-3,6-7,11H2/t17?,18-,19+;14?,15-,16+;10?,11-;8-/m0010/s1
• InChIKey: GFWCTBNRJAWVTI-LECVOCQGSA-N
• XLogP: 7.85
• TPSA: 453.44 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1639.28
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of 3-amino-1-[(3S)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158243707) is 3-amino-1-[(3S)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 3-amino-1-[(3S)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@H]3CCCOC3)c2=O)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.CNc1cc(Nc2cccn([C@H]3CCCOC3)c2=O)nc2c(C(=O)NC3CC[C@@H](O)C3)cnn12.Nc1cccn([C@H]2CCCOC2)c1=O.

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

The InChIKey is GFWCTBNRJAWVTI-LECVOCQGSA-N. The full InChI is InChI=1S/C28H37N7O6.C23H29N7O4.C18H24ClN5O4.C10H14N2O2/c1-28(2,3)41-27(39)33(4)23-14-22(31-21-8-5-11-34(26(21)38)18-7-6-12-40-16-18)32-24-20(15-29-35(23)24)25(37)30-17-9-10-19(36)13-17;1-24-20-11-19(27-18-5-2-8-29(23(18)33)15-4-3-9-34-13-15)28-21-17(12-25-30(20)21)22(32)26-14-6-7-16(31)10-14;1-18(2,3)28-17(27)23(4)14-8-13(19)22-15-12(9-20-24(14)15)16(26)21-10-5-6-11(25)7-10;11-9-4-1-5-12(10(9)13)8-3-2-6-14-7-8/h5,8,11,14-15,17-19,36H,6-7,9-10,12-13,16H2,1-4H3,(H,30,37)(H,31,32);2,5,8,11-12,14-16,24,31H,3-4,6-7,9-10,13H2,1H3,(H,26,32)(H,27,28);8-11,25H,5-7H2,1-4H3,(H,21,26);1,4-5,8H,2-3,6-7,11H2/t17?,18-,19+;14?,15-,16+;10?,11-;8-/m0010/s1.

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

3-amino-1-[(3S)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1639.28 g/mol, XLogP of 7.85, 16 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[(3S)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158243707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).