(2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

C102H102Br4F4N26O10 — CID 157306123

About (2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

(2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 157306123) has the molecular formula C102H102Br4F4N26O10 and a molecular weight of 2247.72 g/mol. Its IUPAC name is (2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
• PubChem CID: 157306123
• Molecular Formula: C102H102Br4F4N26O10
• Molecular Weight: 2247.72 g/mol
• Exact Mass: 2242.49
• IUPAC Name: (2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
• SMILES: C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc(F)cc5F)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc(OC(C)(F)F)cc5)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc6c(c5)CCO6)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(C5=CC=NC5N)nc4)cnn3c(N)c2Br)CC1
• InChI: InChI=1S/C27H27BrF2N6O3.C27H27BrN6O3.C25H23BrF2N6O2.C23H25BrN8O2/c1-15(37)26(38)35-11-9-17(10-12-35)23-22(28)24(31)36-25(34-23)20(14-33-36)18-5-8-21(32-13-18)16-3-6-19(7-4-16)39-27(2,29)30;1-15(35)27(36)33-9-6-16(7-10-33)24-23(28)25(29)34-26(32-24)20(14-31-34)19-2-4-21(30-13-19)17-3-5-22-18(12-17)8-11-37-22;1-13(35)25(36)33-8-6-14(7-9-33)22-21(26)23(29)34-24(32-22)18(12-31-34)15-2-5-20(30-11-15)17-4-3-16(27)10-19(17)28;1-12(33)23(34)31-8-5-13(6-9-31)19-18(24)21(26)32-22(30-19)16(11-29-32)14-2-3-17(28-10-14)15-4-7-27-20(15)25/h3-8,13-15,17,37H,9-12,31H2,1-2H3;2-5,12-16,35H,6-11,29H2,1H3;2-5,10-14,35H,6-9,29H2,1H3;2-4,7,10-13,20,33H,5-6,8-9,25-26H2,1H3/t2*15-;13-;12-,20?/m1111/s1
• InChIKey: BCMLYFYHIREZDU-HHNISZNSSA-N
• XLogP: 14.85
• TPSA: 495.40 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2247.72
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

The IUPAC name of (2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one (CID 157306123) is (2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one.

What is the SMILES notation for (2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

The canonical SMILES for (2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one is C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc(F)cc5F)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc(OC(C)(F)F)cc5)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc6c(c5)CCO6)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(C5=CC=NC5N)nc4)cnn3c(N)c2Br)CC1.

What is the InChIKey of (2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

The InChIKey is BCMLYFYHIREZDU-HHNISZNSSA-N. The full InChI is InChI=1S/C27H27BrF2N6O3.C27H27BrN6O3.C25H23BrF2N6O2.C23H25BrN8O2/c1-15(37)26(38)35-11-9-17(10-12-35)23-22(28)24(31)36-25(34-23)20(14-33-36)18-5-8-21(32-13-18)16-3-6-19(7-4-16)39-27(2,29)30;1-15(35)27(36)33-9-6-16(7-10-33)24-23(28)25(29)34-26(32-24)20(14-31-34)19-2-4-21(30-13-19)17-3-5-22-18(12-17)8-11-37-22;1-13(35)25(36)33-8-6-14(7-9-33)22-21(26)23(29)34-24(32-22)18(12-31-34)15-2-5-20(30-11-15)17-4-3-16(27)10-19(17)28;1-12(33)23(34)31-8-5-13(6-9-31)19-18(24)21(26)32-22(30-19)16(11-29-32)14-2-3-17(28-10-14)15-4-7-27-20(15)25/h3-8,13-15,17,37H,9-12,31H2,1-2H3;2-5,12-16,35H,6-11,29H2,1H3;2-5,10-14,35H,6-9,29H2,1H3;2-4,7,10-13,20,33H,5-6,8-9,25-26H2,1H3/t2*15-;13-;12-,20?/m1111/s1.

What are the key properties of (2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

(2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 2247.72 g/mol, XLogP of 14.85, 18 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[7-amino-3-[6-(2-amino-2H-pyrrol-3-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 157306123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).