(2R)-1-[4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

C120H129Br5N32O11 — CID 158820079

IUPAC(2R)-1-[4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESCCc1cc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)ccc1OC.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccn(C)c5)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5cnc6c(c5)CC=C6)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccn(C)c4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4cnc5c(c4)CC=C5)cnn3c(N)c2Br)CC1
InChIInChI=1S/C28H31BrN6O3.C27H26BrN7O2.C24H26BrN7O2.C22H23BrN6O2.C19H23BrN6O2/c1-4-17-13-19(6-8-23(17)38-3)22-7-5-20(14-31-22)21-15-32-35-26(30)24(29)25(33-27(21)35)18-9-11-34(12-10-18)28(37)16(2)36;1-15(36)27(37)34-9-7-16(8-10-34)24-23(28)25(29)35-26(33-24)20(14-32-35)18-5-6-22(30-12-18)19-11-17-3-2-4-21(17)31-13-19;1-14(33)24(34)31-9-6-15(7-10-31)21-20(25)22(26)32-23(29-21)18(12-28-32)16-3-4-19(27-11-16)17-5-8-30(2)13-17;1-12(30)22(31)28-7-5-13(6-8-28)19-18(23)20(24)29-21(27-19)16(11-26-29)15-9-14-3-2-4-17(14)25-10-15;1-11(27)19(28)25-7-4-12(5-8-25)16-15(20)17(21)26-18(23-16)14(9-22-26)13-3-6-24(2)10-13/h5-8,13-16,18,36H,4,9-12,30H2,1-3H3;2,4-6,11-16,36H,3,7-10,29H2,1H3;3-5,8,11-15,33H,6-7,9-10,26H2,1-2H3;2,4,9-13,30H,3,5-8,24H2,1H3;3,6,9-12,27H,4-5,7-8,21H2,1-2H3/t16-;15-;14-;12-;11-/m11111/s1
InChIKeyIVTHJQNYKCJUBP-CVDUFHOHSA-N
MW2595.08 g/mol
LogP16.50
Rot. Bonds20

About (2R)-1-[4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

(2R)-1-[4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 158820079) has the molecular formula C120H129Br5N32O11 and a molecular weight of 2595.08 g/mol. Its IUPAC name is (2R)-1-[4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-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-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
PubChem CID158820079
Molecular FormulaC120H129Br5N32O11
Molecular Weight2595.08 g/mol
Exact Mass2588.64
IUPAC Name(2R)-1-[4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESCCc1cc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)ccc1OC.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccn(C)c5)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5cnc6c(c5)CC=C6)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccn(C)c4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4cnc5c(c4)CC=C5)cnn3c(N)c2Br)CC1
InChIInChI=1S/C28H31BrN6O3.C27H26BrN7O2.C24H26BrN7O2.C22H23BrN6O2.C19H23BrN6O2/c1-4-17-13-19(6-8-23(17)38-3)22-7-5-20(14-31-22)21-15-32-35-26(30)24(29)25(33-27(21)35)18-9-11-34(12-10-18)28(37)16(2)36;1-15(36)27(37)34-9-7-16(8-10-34)24-23(28)25(29)35-26(33-24)20(14-32-35)18-5-6-22(30-12-18)19-11-17-3-2-4-21(17)31-13-19;1-14(33)24(34)31-9-6-15(7-10-31)21-20(25)22(26)32-23(29-21)18(12-28-32)16-3-4-19(27-11-16)17-5-8-30(2)13-17;1-12(30)22(31)28-7-5-13(6-8-28)19-18(23)20(24)29-21(27-19)16(11-26-29)15-9-14-3-2-4-17(14)25-10-15;1-11(27)19(28)25-7-4-12(5-8-25)16-15(20)17(21)26-18(23-16)14(9-22-26)13-3-6-24(2)10-13/h5-8,13-16,18,36H,4,9-12,30H2,1-3H3;2,4-6,11-16,36H,3,7-10,29H2,1H3;3-5,8,11-15,33H,6-7,9-10,26H2,1-2H3;2,4,9-13,30H,3,5-8,24H2,1H3;3,6,9-12,27H,4-5,7-8,21H2,1-2H3/t16-;15-;14-;12-;11-/m11111/s1
InChIKeyIVTHJQNYKCJUBP-CVDUFHOHSA-N
XLogP16.50
TPSA567.29 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds20
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002595.08
LogP ≤ 516.50
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze (2R)-1-[4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-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-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one (CID 158820079) is (2R)-1-[4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-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-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-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-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one is CCc1cc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)ccc1OC.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccn(C)c5)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5cnc6c(c5)CC=C6)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccn(C)c4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4cnc5c(c4)CC=C5)cnn3c(N)c2Br)CC1.
What is the InChIKey of (2R)-1-[4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is IVTHJQNYKCJUBP-CVDUFHOHSA-N. The full InChI is InChI=1S/C28H31BrN6O3.C27H26BrN7O2.C24H26BrN7O2.C22H23BrN6O2.C19H23BrN6O2/c1-4-17-13-19(6-8-23(17)38-3)22-7-5-20(14-31-22)21-15-32-35-26(30)24(29)25(33-27(21)35)18-9-11-34(12-10-18)28(37)16(2)36;1-15(36)27(37)34-9-7-16(8-10-34)24-23(28)25(29)35-26(33-24)20(14-32-35)18-5-6-22(30-12-18)19-11-17-3-2-4-21(17)31-13-19;1-14(33)24(34)31-9-6-15(7-10-31)21-20(25)22(26)32-23(29-21)18(12-28-32)16-3-4-19(27-11-16)17-5-8-30(2)13-17;1-12(30)22(31)28-7-5-13(6-8-28)19-18(23)20(24)29-21(27-19)16(11-26-29)15-9-14-3-2-4-17(14)25-10-15;1-11(27)19(28)25-7-4-12(5-8-25)16-15(20)17(21)26-18(23-16)14(9-22-26)13-3-6-24(2)10-13/h5-8,13-16,18,36H,4,9-12,30H2,1-3H3;2,4-6,11-16,36H,3,7-10,29H2,1H3;3-5,8,11-15,33H,6-7,9-10,26H2,1-2H3;2,4,9-13,30H,3,5-8,24H2,1H3;3,6,9-12,27H,4-5,7-8,21H2,1-2H3/t16-;15-;14-;12-;11-/m11111/s1.
What are the key properties of (2R)-1-[4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
(2R)-1-[4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 2595.08 g/mol, XLogP of 16.50, 20 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-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-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 158820079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).