2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine

C69H104FN21O8S3Si2 — CID 160726531

IUPAC2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine
SMILESCC(C)CS(=O)(=O)N1CCC[C@H](N)C1.CC(C)CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ncc3n2)C1.CC(C)CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3c(cnn3COCC[Si](C)(C)C)n2)C1.C[Si](C)(C)CCOCn1ncc2nc(-c3cccnc3F)cnc21
InChIInChI=1S/C25H39N7O3SSi.C19H25N7O2S.C16H20FN5OSi.C9H20N2O2S/c1-19(2)17-36(33,34)31-11-7-8-20(16-31)29-24-21(9-6-10-26-24)22-14-27-25-23(30-22)15-28-32(25)18-35-12-13-37(3,4)5;1-13(2)12-29(27,28)26-8-4-5-14(11-26)23-18-15(6-3-7-20-18)16-9-21-19-17(24-16)10-22-25-19;1-24(2,3)8-7-23-11-22-16-14(10-20-22)21-13(9-19-16)12-5-4-6-18-15(12)17;1-8(2)7-14(12,13)11-5-3-4-9(10)6-11/h6,9-10,14-15,19-20H,7-8,11-13,16-18H2,1-5H3,(H,26,29);3,6-7,9-10,13-14H,4-5,8,11-12H2,1-2H3,(H,20,23)(H,21,22,25);4-6,9-10H,7-8,11H2,1-3H3;8-9H,3-7,10H2,1-2H3/t20-;14-;;9-/m00.0/s1
InChIKeyRTUCSSYPWIZVIA-IZESIVCZSA-N
MW1527.10 g/mol
LogP10.07
Rot. Bonds26

About 2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine

2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine (PubChem CID 160726531) has the molecular formula C69H104FN21O8S3Si2 and a molecular weight of 1527.10 g/mol. Its IUPAC name is 2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine
PubChem CID160726531
Molecular FormulaC69H104FN21O8S3Si2
Molecular Weight1527.10 g/mol
Exact Mass1525.71
IUPAC Name2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine
SMILESCC(C)CS(=O)(=O)N1CCC[C@H](N)C1.CC(C)CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ncc3n2)C1.CC(C)CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3c(cnn3COCC[Si](C)(C)C)n2)C1.C[Si](C)(C)CCOCn1ncc2nc(-c3cccnc3F)cnc21
InChIInChI=1S/C25H39N7O3SSi.C19H25N7O2S.C16H20FN5OSi.C9H20N2O2S/c1-19(2)17-36(33,34)31-11-7-8-20(16-31)29-24-21(9-6-10-26-24)22-14-27-25-23(30-22)15-28-32(25)18-35-12-13-37(3,4)5;1-13(2)12-29(27,28)26-8-4-5-14(11-26)23-18-15(6-3-7-20-18)16-9-21-19-17(24-16)10-22-25-19;1-24(2,3)8-7-23-11-22-16-14(10-20-22)21-13(9-19-16)12-5-4-6-18-15(12)17;1-8(2)7-14(12,13)11-5-3-4-9(10)6-11/h6,9-10,14-15,19-20H,7-8,11-13,16-18H2,1-5H3,(H,26,29);3,6-7,9-10,13-14H,4-5,8,11-12H2,1-2H3,(H,20,23)(H,21,22,25);4-6,9-10H,7-8,11H2,1-3H3;8-9H,3-7,10H2,1-2H3/t20-;14-;;9-/m00.0/s1
InChIKeyRTUCSSYPWIZVIA-IZESIVCZSA-N
XLogP10.07
TPSA361.01 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001527.10
LogP ≤ 510.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine?
The IUPAC name of 2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine (CID 160726531) is 2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine.
What is the SMILES notation for 2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine?
The canonical SMILES for 2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine is CC(C)CS(=O)(=O)N1CCC[C@H](N)C1.CC(C)CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ncc3n2)C1.CC(C)CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3c(cnn3COCC[Si](C)(C)C)n2)C1.C[Si](C)(C)CCOCn1ncc2nc(-c3cccnc3F)cnc21.
What is the InChIKey of 2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine?
The InChIKey is RTUCSSYPWIZVIA-IZESIVCZSA-N. The full InChI is InChI=1S/C25H39N7O3SSi.C19H25N7O2S.C16H20FN5OSi.C9H20N2O2S/c1-19(2)17-36(33,34)31-11-7-8-20(16-31)29-24-21(9-6-10-26-24)22-14-27-25-23(30-22)15-28-32(25)18-35-12-13-37(3,4)5;1-13(2)12-29(27,28)26-8-4-5-14(11-26)23-18-15(6-3-7-20-18)16-9-21-19-17(24-16)10-22-25-19;1-24(2,3)8-7-23-11-22-16-14(10-20-22)21-13(9-19-16)12-5-4-6-18-15(12)17;1-8(2)7-14(12,13)11-5-3-4-9(10)6-11/h6,9-10,14-15,19-20H,7-8,11-13,16-18H2,1-5H3,(H,26,29);3,6-7,9-10,13-14H,4-5,8,11-12H2,1-2H3,(H,20,23)(H,21,22,25);4-6,9-10H,7-8,11H2,1-3H3;8-9H,3-7,10H2,1-2H3/t20-;14-;;9-/m00.0/s1.
What are the key properties of 2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine?
2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine has a molecular weight of 1527.10 g/mol, XLogP of 10.07, 26 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluoro-3-pyridinyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;(3S)-1-(2-methylpropylsulfonyl)piperidin-3-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine;N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyrazin-5-yl]pyridin-2-amine is sourced from PubChem (CID 160726531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).