N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C87H106FN29O10 — CID 158161596

About N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158161596) has the molecular formula C87H106FN29O10 and a molecular weight of 1737.00 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158161596
• Molecular Formula: C87H106FN29O10
• Molecular Weight: 1737.00 g/mol
• Exact Mass: 1735.87
• IUPAC Name: N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccc(N3CCOCC3)n2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.CNc1cc(Nc2cccc([C@@H]3CCCCO3)n2)nc2c(C(=O)N[C@@H]3CC[C@@H]3C)cnn12.CNc1cc(Nc2cccc([C@@H]3CCCOC3)n2)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12.CNc1cc(Nc2cccc([C@H]3CCCOC3)n2)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
• InChI: InChI=1S/C23H29N7O2.2C22H27N7O3.C20H23FN8O2/c1-14-9-10-16(14)27-23(31)15-13-25-30-21(24-2)12-20(29-22(15)30)28-19-8-5-6-17(26-19)18-7-3-4-11-32-18;2*1-23-20-10-19(27-18-6-2-5-15(25-18)13-4-3-9-32-12-13)28-21-14(11-24-29(20)21)22(31)26-16-7-8-17(16)30;1-22-18-10-16(25-15-3-2-4-17(26-15)28-5-7-31-8-6-28)27-19-12(11-23-29(18)19)20(30)24-14-9-13(14)21/h5-6,8,12-14,16,18,24H,3-4,7,9-11H2,1-2H3,(H,27,31)(H,26,28,29);2*2,5-6,10-11,13,16-17,23,30H,3-4,7-9,12H2,1H3,(H,26,31)(H,25,27,28);2-4,10-11,13-14,22H,5-9H2,1H3,(H,24,30)(H,25,26,27)/t14-,16+,18-;13-,16+,17+;13-,16-,17-;13-,14+/m0101/s1
• InChIKey: FWIKMCVMFDXRAY-UKGXVTHFSA-N
• XLogP: 9.38
• TPSA: 465.58 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1737.00
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158161596) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc(N3CCOCC3)n2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.CNc1cc(Nc2cccc([C@@H]3CCCCO3)n2)nc2c(C(=O)N[C@@H]3CC[C@@H]3C)cnn12.CNc1cc(Nc2cccc([C@@H]3CCCOC3)n2)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12.CNc1cc(Nc2cccc([C@H]3CCCOC3)n2)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12.

What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is FWIKMCVMFDXRAY-UKGXVTHFSA-N. The full InChI is InChI=1S/C23H29N7O2.2C22H27N7O3.C20H23FN8O2/c1-14-9-10-16(14)27-23(31)15-13-25-30-21(24-2)12-20(29-22(15)30)28-19-8-5-6-17(26-19)18-7-3-4-11-32-18;2*1-23-20-10-19(27-18-6-2-5-15(25-18)13-4-3-9-32-12-13)28-21-14(11-24-29(20)21)22(31)26-16-7-8-17(16)30;1-22-18-10-16(25-15-3-2-4-17(26-15)28-5-7-31-8-6-28)27-19-12(11-23-29(18)19)20(30)24-14-9-13(14)21/h5-6,8,12-14,16,18,24H,3-4,7,9-11H2,1-2H3,(H,27,31)(H,26,28,29);2*2,5-6,10-11,13,16-17,23,30H,3-4,7-9,12H2,1H3,(H,26,31)(H,25,27,28);2-4,10-11,13-14,22H,5-9H2,1H3,(H,24,30)(H,25,26,27)/t14-,16+,18-;13-,16+,17+;13-,16-,17-;13-,14+/m0101/s1.

What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1737.00 g/mol, XLogP of 9.38, 24 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1R,2S)-2-methylcyclobutyl]-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158161596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).