1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one

C112H124F2N26O14 — CID 159894859

IUPAC1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one
SMILESCC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(-c4ccc(F)cc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(-c4ccn(C)c4)nc3)cnn2c1N.CO[C@H](C)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc(F)cc5)nc4)cnn3c(N)c2C(C)=O)CC1.CO[C@H](C)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccn(C)c5)nc4)cnn3c(N)c2C(C)=O)CC1
InChIInChI=1S/C29H31FN6O4.C28H29FN6O3.C28H33N7O4.C27H31N7O3/c1-17(39)24-25(19-9-11-35(12-10-19)28(40)29(2,15-37)16-38)34-27-22(14-33-36(27)26(24)31)20-5-8-23(32-13-20)18-3-6-21(30)7-4-18;1-16(36)24-25(19-10-12-34(13-11-19)28(37)17(2)38-3)33-27-22(15-32-35(27)26(24)30)20-6-9-23(31-14-20)18-4-7-21(29)8-5-18;1-17(38)23-24(18-7-10-34(11-8-18)27(39)28(2,15-36)16-37)32-26-21(13-31-35(26)25(23)29)19-4-5-22(30-12-19)20-6-9-33(3)14-20;1-16(35)23-24(18-8-11-33(12-9-18)27(36)17(2)37-4)31-26-21(14-30-34(26)25(23)28)19-5-6-22(29-13-19)20-7-10-32(3)15-20/h3-8,13-14,19,37-38H,9-12,15-16,31H2,1-2H3;4-9,14-15,17,19H,10-13,30H2,1-3H3;4-6,9,12-14,18,36-37H,7-8,10-11,15-16,29H2,1-3H3;5-7,10,13-15,17-18H,8-9,11-12,28H2,1-4H3/t;17-;;17-/m.1.1/s1
InChIKeyNVFDHRFZJZGFQO-HODJTKSMSA-N
MW2096.39 g/mol
LogP12.80
Rot. Bonds26

About 1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one

1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one (PubChem CID 159894859) has the molecular formula C112H124F2N26O14 and a molecular weight of 2096.39 g/mol. Its IUPAC name is 1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one
PubChem CID159894859
Molecular FormulaC112H124F2N26O14
Molecular Weight2096.39 g/mol
Exact Mass2094.98
IUPAC Name1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one
SMILESCC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(-c4ccc(F)cc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(-c4ccn(C)c4)nc3)cnn2c1N.CO[C@H](C)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc(F)cc5)nc4)cnn3c(N)c2C(C)=O)CC1.CO[C@H](C)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccn(C)c5)nc4)cnn3c(N)c2C(C)=O)CC1
InChIInChI=1S/C29H31FN6O4.C28H29FN6O3.C28H33N7O4.C27H31N7O3/c1-17(39)24-25(19-9-11-35(12-10-19)28(40)29(2,15-37)16-38)34-27-22(14-33-36(27)26(24)31)20-5-8-23(32-13-20)18-3-6-21(30)7-4-18;1-16(36)24-25(19-10-12-34(13-11-19)28(37)17(2)38-3)33-27-22(15-32-35(27)26(24)30)20-6-9-23(31-14-20)18-4-7-21(29)8-5-18;1-17(38)23-24(18-7-10-34(11-8-18)27(39)28(2,15-36)16-37)32-26-21(13-31-35(26)25(23)29)19-4-5-22(30-12-19)20-6-9-33(3)14-20;1-16(35)23-24(18-8-11-33(12-9-18)27(36)17(2)37-4)31-26-21(14-30-34(26)25(23)28)19-5-6-22(29-13-19)20-7-10-32(3)15-20/h3-8,13-14,19,37-38H,9-12,15-16,31H2,1-2H3;4-9,14-15,17,19H,10-13,30H2,1-3H3;4-6,9,12-14,18,36-37H,7-8,10-11,15-16,29H2,1-3H3;5-7,10,13-15,17-18H,8-9,11-12,28H2,1-4H3/t;17-;;17-/m.1.1/s1
InChIKeyNVFDHRFZJZGFQO-HODJTKSMSA-N
XLogP12.80
TPSA535.16 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002096.39
LogP ≤ 512.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one with MolForge

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Related Compounds

1-[(1S,5R)-3-[6-acetyl-7-amino-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 67294395
1-[(1S,5R)-3-[6-acetyl-7-amino-3-[6-(2,6-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 67294525
(2R)-1-[(1R,5S)-3-[6-acetyl-7-amino-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropan-1-one
CID 67294780
1-[(1S,5R)-3-[6-acetyl-7-amino-3-[6-(4-fluoro-1-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 67294783
(2R)-1-[(1R,5S)-3-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropan-1-one
CID 67294903
1-[(1S,5R)-3-[6-acetyl-7-amino-3-[6-(3,5-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 67294967
1-[(1S,5R)-3-[6-acetyl-7-amino-3-[5-fluoro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 67295314
1-[(1S,5R)-3-[6-acetyl-7-amino-3-[6-[1-(fluoromethyl)pyrazol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 67295359
(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 68072284
1-[4-[6-Acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one
CID 68072293
(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one
CID 68072294
1-[4-[6-Acetyl-7-amino-3-[6-(3-ethyl-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one
CID 68072318

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one?
The IUPAC name of 1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one (CID 159894859) is 1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one.
What is the SMILES notation for 1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one?
The canonical SMILES for 1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one is CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(-c4ccc(F)cc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(-c4ccn(C)c4)nc3)cnn2c1N.CO[C@H](C)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc(F)cc5)nc4)cnn3c(N)c2C(C)=O)CC1.CO[C@H](C)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccn(C)c5)nc4)cnn3c(N)c2C(C)=O)CC1.
What is the InChIKey of 1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one?
The InChIKey is NVFDHRFZJZGFQO-HODJTKSMSA-N. The full InChI is InChI=1S/C29H31FN6O4.C28H29FN6O3.C28H33N7O4.C27H31N7O3/c1-17(39)24-25(19-9-11-35(12-10-19)28(40)29(2,15-37)16-38)34-27-22(14-33-36(27)26(24)31)20-5-8-23(32-13-20)18-3-6-21(30)7-4-18;1-16(36)24-25(19-10-12-34(13-11-19)28(37)17(2)38-3)33-27-22(15-32-35(27)26(24)30)20-6-9-23(31-14-20)18-4-7-21(29)8-5-18;1-17(38)23-24(18-7-10-34(11-8-18)27(39)28(2,15-36)16-37)32-26-21(13-31-35(26)25(23)29)19-4-5-22(30-12-19)20-6-9-33(3)14-20;1-16(35)23-24(18-8-11-33(12-9-18)27(36)17(2)37-4)31-26-21(14-30-34(26)25(23)28)19-5-6-22(29-13-19)20-7-10-32(3)15-20/h3-8,13-14,19,37-38H,9-12,15-16,31H2,1-2H3;4-9,14-15,17,19H,10-13,30H2,1-3H3;4-6,9,12-14,18,36-37H,7-8,10-11,15-16,29H2,1-3H3;5-7,10,13-15,17-18H,8-9,11-12,28H2,1-4H3/t;17-;;17-/m.1.1/s1.
What are the key properties of 1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one?
1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one has a molecular weight of 2096.39 g/mol, XLogP of 12.80, 26 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one is sourced from PubChem (CID 159894859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).