3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen

C57H79FN18 — CID 158302130

IUPAC3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen
SMILESCC(C)CC1(C)CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCC1N.Fc1ccc(N2CCNC3(CCC3)C2)nc1-c1[nH]nc2ncccc12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].c1cc(-c2[nH]nc3ncccc23)nc(N2CCNC3(CCC3)C2)c1
InChIInChI=1S/C21H28N6.C18H19FN6.C18H20N6.6H2/c1-14(2)12-21(3)13-27(11-9-17(21)22)18-8-4-7-16(24-18)19-15-6-5-10-23-20(15)26-25-19;19-13-4-5-14(25-10-9-21-18(11-25)6-2-7-18)22-16(13)15-12-3-1-8-20-17(12)24-23-15;1-5-14(16-13-4-2-9-19-17(13)23-22-16)21-15(6-1)24-11-10-20-18(12-24)7-3-8-18;;;;;;/h4-8,10,14,17H,9,11-13,22H2,1-3H3,(H,23,25,26);1,3-5,8,21H,2,6-7,9-11H2,(H,20,23,24);1-2,4-6,9,20H,3,7-8,10-12H2,(H,19,22,23);6*1H
InChIKeyGMPTVNFDXRZCLD-UHFFFAOYSA-N
MW1035.38 g/mol
LogP9.93
Rot. Bonds8

About 3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen

3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen (PubChem CID 158302130) has the molecular formula C57H79FN18 and a molecular weight of 1035.38 g/mol. Its IUPAC name is 3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen
PubChem CID158302130
Molecular FormulaC57H79FN18
Molecular Weight1035.38 g/mol
Exact Mass1034.67
IUPAC Name3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen
SMILESCC(C)CC1(C)CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCC1N.Fc1ccc(N2CCNC3(CCC3)C2)nc1-c1[nH]nc2ncccc12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].c1cc(-c2[nH]nc3ncccc23)nc(N2CCNC3(CCC3)C2)c1
InChIInChI=1S/C21H28N6.C18H19FN6.C18H20N6.6H2/c1-14(2)12-21(3)13-27(11-9-17(21)22)18-8-4-7-16(24-18)19-15-6-5-10-23-20(15)26-25-19;19-13-4-5-14(25-10-9-21-18(11-25)6-2-7-18)22-16(13)15-12-3-1-8-20-17(12)24-23-15;1-5-14(16-13-4-2-9-19-17(13)23-22-16)21-15(6-1)24-11-10-20-18(12-24)7-3-8-18;;;;;;/h4-8,10,14,17H,9,11-13,22H2,1-3H3,(H,23,25,26);1,3-5,8,21H,2,6-7,9-11H2,(H,20,23,24);1-2,4-6,9,20H,3,7-8,10-12H2,(H,19,22,23);6*1H
InChIKeyGMPTVNFDXRZCLD-UHFFFAOYSA-N
XLogP9.93
TPSA223.18 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001035.38
LogP ≤ 59.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen with MolForge

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Related Compounds

[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen
CID 160568554
(3R,4S)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-methyl-3-(2-methylpropyl)piperidin-3-ol;molecular hydrogen
CID 157434128
1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-(2-methylpropyl)-1,4-diazepan-6-ol
CID 67949785
3-[3-fluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
CID 160924712
(3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen
CID 158919449
(3R,4R)-4-amino-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 67949783
1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen
CID 158340676
3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949894
3-[6-[3-(1,1-difluoro-2-methylpropyl)piperazin-1-yl]-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3S,4R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-one
CID 159928485
1-[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropan-1-amine;molecular hydrogen
CID 160956328
1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen
CID 160738314
3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 143931194

Frequently Asked Questions

What is the IUPAC name of 3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen?
The IUPAC name of 3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen (CID 158302130) is 3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen.
What is the SMILES notation for 3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen?
The canonical SMILES for 3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen is CC(C)CC1(C)CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCC1N.Fc1ccc(N2CCNC3(CCC3)C2)nc1-c1[nH]nc2ncccc12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].c1cc(-c2[nH]nc3ncccc23)nc(N2CCNC3(CCC3)C2)c1.
What is the InChIKey of 3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen?
The InChIKey is GMPTVNFDXRZCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6.C18H19FN6.C18H20N6.6H2/c1-14(2)12-21(3)13-27(11-9-17(21)22)18-8-4-7-16(24-18)19-15-6-5-10-23-20(15)26-25-19;19-13-4-5-14(25-10-9-21-18(11-25)6-2-7-18)22-16(13)15-12-3-1-8-20-17(12)24-23-15;1-5-14(16-13-4-2-9-19-17(13)23-22-16)21-15(6-1)24-11-10-20-18(12-24)7-3-8-18;;;;;;/h4-8,10,14,17H,9,11-13,22H2,1-3H3,(H,23,25,26);1,3-5,8,21H,2,6-7,9-11H2,(H,20,23,24);1-2,4-6,9,20H,3,7-8,10-12H2,(H,19,22,23);6*1H.
What are the key properties of 3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen?
3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen has a molecular weight of 1035.38 g/mol, XLogP of 9.93, 8 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 158302130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).