1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C122H135N27O18 — CID 158598883

IUPAC1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(C2CCN(C(=O)C3(O)CCC(C(=O)[C@@H](C)O)CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C3(O)CCN(C(C)=O)CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)C(C)(CO)CO)CC5)nc34)cn2)cn1.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cn1
InChIInChI=1S/C34H38N6O5.C32H35N7O4.C29H33N7O5.C27H29N7O4/c1-20(41)28-29(23-12-16-39(17-13-23)33(44)34(45)14-10-24(11-15-34)30(43)21(2)42)38-32-26(19-37-40(32)31(28)35)25-8-9-27(36-18-25)22-6-4-3-5-7-22;1-20(40)27-28(23-10-14-38(15-11-23)31(42)32(43)12-16-37(17-13-32)21(2)41)36-30-25(19-35-39(30)29(27)33)24-8-9-26(34-18-24)22-6-4-3-5-7-22;1-17(39)24-25(18-8-10-35(11-9-18)28(40)29(2,15-37)16-38)34-27-21(14-33-36(27)26(24)30)19-4-6-22(31-12-19)20-5-7-23(41-3)32-13-20;1-15(35)23-24(17-8-10-33(11-9-17)27(37)16(2)36)32-26-20(14-31-34(26)25(23)28)18-4-6-21(29-12-18)19-5-7-22(38-3)30-13-19/h3-9,18-19,21,23-24,42,45H,10-17,35H2,1-2H3;3-9,18-19,23,43H,10-17,33H2,1-2H3;4-7,12-14,18,37-38H,8-11,15-16,30H2,1-3H3;4-7,12-14,16-17,36H,8-11,28H2,1-3H3/t21-,24?,34?;;;16-/m1..1/s1
InChIKeyHVJMSHIIBJZQMI-RNUOXWAASA-N
MW2267.59 g/mol
LogP12.22
Rot. Bonds26

About 1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 158598883) has the molecular formula C122H135N27O18 and a molecular weight of 2267.59 g/mol. Its IUPAC name is 1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID158598883
Molecular FormulaC122H135N27O18
Molecular Weight2267.59 g/mol
Exact Mass2266.05
IUPAC Name1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(C2CCN(C(=O)C3(O)CCC(C(=O)[C@@H](C)O)CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C3(O)CCN(C(C)=O)CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)C(C)(CO)CO)CC5)nc34)cn2)cn1.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cn1
InChIInChI=1S/C34H38N6O5.C32H35N7O4.C29H33N7O5.C27H29N7O4/c1-20(41)28-29(23-12-16-39(17-13-23)33(44)34(45)14-10-24(11-15-34)30(43)21(2)42)38-32-26(19-37-40(32)31(28)35)25-8-9-27(36-18-25)22-6-4-3-5-7-22;1-20(40)27-28(23-10-14-38(15-11-23)31(42)32(43)12-16-37(17-13-32)21(2)41)36-30-25(19-35-39(30)29(27)33)24-8-9-26(34-18-24)22-6-4-3-5-7-22;1-17(39)24-25(18-8-10-35(11-9-18)28(40)29(2,15-37)16-38)34-27-21(14-33-36(27)26(24)30)19-4-6-22(31-12-19)20-5-7-23(41-3)32-13-20;1-15(35)23-24(17-8-10-33(11-9-17)27(37)16(2)36)32-26-20(14-31-34(26)25(23)28)18-4-6-21(29-12-18)19-5-7-22(38-3)30-13-19/h3-9,18-19,21,23-24,42,45H,10-17,35H2,1-2H3;3-9,18-19,23,43H,10-17,33H2,1-2H3;4-7,12-14,18,37-38H,8-11,15-16,30H2,1-3H3;4-7,12-14,16-17,36H,8-11,28H2,1-3H3/t21-,24?,34?;;;16-/m1..1/s1
InChIKeyHVJMSHIIBJZQMI-RNUOXWAASA-N
XLogP12.22
TPSA628.92 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds26
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002267.59
LogP ≤ 512.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze 1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(1S,5R)-3-[6-acetyl-7-amino-3-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 67294355
(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 68072337
1-[3-[6-Acetyl-7-amino-3-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one
CID 68272769
1-[3-[6-Acetyl-7-amino-3-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 68272777
1-[(1R,5S)-3-[6-acetyl-7-amino-3-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one
CID 71115608
5-[6-(3-Fluoro-4-methoxyphenyl)-3-pyridinyl]-8-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 136168833
5-[6-(3-Fluoro-4-methoxyphenyl)-3-pyridinyl]-8-[8-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 136168836
8-[2-Ethyl-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-5-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 136635521
1-[2-[2-[6-Acetyl-7-amino-3-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]propyl]-5-methylpyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one
CID 144226216
1-[2-[2-[6-Acetyl-7-amino-3-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]butyl]-5-methylpyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one
CID 144226312
1-[2-[2-[6-Acetyl-7-amino-3-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]propyl]-5-methylpyrrolidin-1-yl]-2-hydroxyethanone
CID 144226325
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(4-methylphenyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)-2-propoxypyridine-3-carboxamide;2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 159182843

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 158598883) is 1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(C2CCN(C(=O)C3(O)CCC(C(=O)[C@@H](C)O)CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C3(O)CCN(C(C)=O)CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)C(C)(CO)CO)CC5)nc34)cn2)cn1.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cn1.
What is the InChIKey of 1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is HVJMSHIIBJZQMI-RNUOXWAASA-N. The full InChI is InChI=1S/C34H38N6O5.C32H35N7O4.C29H33N7O5.C27H29N7O4/c1-20(41)28-29(23-12-16-39(17-13-23)33(44)34(45)14-10-24(11-15-34)30(43)21(2)42)38-32-26(19-37-40(32)31(28)35)25-8-9-27(36-18-25)22-6-4-3-5-7-22;1-20(40)27-28(23-10-14-38(15-11-23)31(42)32(43)12-16-37(17-13-32)21(2)41)36-30-25(19-35-39(30)29(27)33)24-8-9-26(34-18-24)22-6-4-3-5-7-22;1-17(39)24-25(18-8-10-35(11-9-18)28(40)29(2,15-37)16-38)34-27-21(14-33-36(27)26(24)30)19-4-6-22(31-12-19)20-5-7-23(41-3)32-13-20;1-15(35)23-24(17-8-10-33(11-9-17)27(37)16(2)36)32-26-20(14-31-34(26)25(23)28)18-4-6-21(29-12-18)19-5-7-22(38-3)30-13-19/h3-9,18-19,21,23-24,42,45H,10-17,35H2,1-2H3;3-9,18-19,23,43H,10-17,33H2,1-2H3;4-7,12-14,18,37-38H,8-11,15-16,30H2,1-3H3;4-7,12-14,16-17,36H,8-11,28H2,1-3H3/t21-,24?,34?;;;16-/m1..1/s1.
What are the key properties of 1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 2267.59 g/mol, XLogP of 12.22, 26 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-acetyl-7-amino-3-[6-(6-methoxy-3-pyridinyl)-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxycyclohexyl]-2-hydroxypropan-1-one;1-[5-[1-(1-acetyl-4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 158598883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).