5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine

C67H75N23S6 — CID 163628545

IUPAC5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
SMILESCN(c1nc2sc(-c3ccc(-c4cn[nH]c4)nc3)nc2s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nc2sc(-c3ncc(-c4cn[nH]c4)c4c3N=CC4)nc2s1)C1CC(C)(C)NC(C)(C)C1.c1cc2c(-c3cn[nH]c3)cnc(-c3nc4sc(N5CCC56CCCNC6)nc4s3)c2[nH]1
InChIInChI=1S/C24H28N8S2.C22H27N7S2.C21H20N8S2/c1-23(2)8-14(9-24(3,4)31-23)32(5)22-30-21-20(34-22)29-19(33-21)18-17-15(6-7-25-17)16(12-26-18)13-10-27-28-11-13;1-21(2)8-15(9-22(3,4)28-21)29(5)20-27-19-18(31-20)26-17(30-19)13-6-7-16(23-10-13)14-11-24-25-12-14;1-3-21(11-22-5-1)4-7-29(21)20-28-19-18(31-20)27-17(30-19)16-15-13(2-6-23-15)14(10-24-16)12-8-25-26-9-12/h7,10-12,14,31H,6,8-9H2,1-5H3,(H,27,28);6-7,10-12,15,28H,8-9H2,1-5H3,(H,24,25);2,6,8-10,22-23H,1,3-5,7,11H2,(H,25,26)
InChIKeyHUBZUZBRDUHDHL-UHFFFAOYSA-N
MW1394.90 g/mol
LogP14.18
Rot. Bonds11

About 5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine

5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 163628545) has the molecular formula C67H75N23S6 and a molecular weight of 1394.90 g/mol. Its IUPAC name is 5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID163628545
Molecular FormulaC67H75N23S6
Molecular Weight1394.90 g/mol
Exact Mass1393.49
IUPAC Name5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
SMILESCN(c1nc2sc(-c3ccc(-c4cn[nH]c4)nc3)nc2s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nc2sc(-c3ncc(-c4cn[nH]c4)c4c3N=CC4)nc2s1)C1CC(C)(C)NC(C)(C)C1.c1cc2c(-c3cn[nH]c3)cnc(-c3nc4sc(N5CCC56CCCNC6)nc4s3)c2[nH]1
InChIInChI=1S/C24H28N8S2.C22H27N7S2.C21H20N8S2/c1-23(2)8-14(9-24(3,4)31-23)32(5)22-30-21-20(34-22)29-19(33-21)18-17-15(6-7-25-17)16(12-26-18)13-10-27-28-11-13;1-21(2)8-15(9-22(3,4)28-21)29(5)20-27-19-18(31-20)26-17(30-19)13-6-7-16(23-10-13)14-11-24-25-12-14;1-3-21(11-22-5-1)4-7-29(21)20-28-19-18(31-20)27-17(30-19)16-15-13(2-6-23-15)14(10-24-16)12-8-25-26-9-12/h7,10-12,14,31H,6,8-9H2,1-5H3,(H,27,28);6-7,10-12,15,28H,8-9H2,1-5H3,(H,24,25);2,6,8-10,22-23H,1,3-5,7,11H2,(H,25,26)
InChIKeyHUBZUZBRDUHDHL-UHFFFAOYSA-N
XLogP14.18
TPSA276.01 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001394.90
LogP ≤ 514.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze 5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine with MolForge

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Related Compounds

N-methyl-2-[5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 162492651
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492745
N-(1,2-dimethylpiperidin-4-yl)-N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 163921856
N-methyl-2-[2-(1H-pyrazol-4-yl)pyrimidin-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492588
N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492768
5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 162492840
2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 153383835
2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 163989294
2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 150471037
6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 151863109
N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492744
N-methyl-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 162492630

Frequently Asked Questions

What is the IUPAC name of 5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine (CID 163628545) is 5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine is CN(c1nc2sc(-c3ccc(-c4cn[nH]c4)nc3)nc2s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nc2sc(-c3ncc(-c4cn[nH]c4)c4c3N=CC4)nc2s1)C1CC(C)(C)NC(C)(C)C1.c1cc2c(-c3cn[nH]c3)cnc(-c3nc4sc(N5CCC56CCCNC6)nc4s3)c2[nH]1.
What is the InChIKey of 5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is HUBZUZBRDUHDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8S2.C22H27N7S2.C21H20N8S2/c1-23(2)8-14(9-24(3,4)31-23)32(5)22-30-21-20(34-22)29-19(33-21)18-17-15(6-7-25-17)16(12-26-18)13-10-27-28-11-13;1-21(2)8-15(9-22(3,4)28-21)29(5)20-27-19-18(31-20)26-17(30-19)13-6-7-16(23-10-13)14-11-24-25-12-14;1-3-21(11-22-5-1)4-7-29(21)20-28-19-18(31-20)27-17(30-19)16-15-13(2-6-23-15)14(10-24-16)12-8-25-26-9-12/h7,10-12,14,31H,6,8-9H2,1-5H3,(H,27,28);6-7,10-12,15,28H,8-9H2,1-5H3,(H,24,25);2,6,8-10,22-23H,1,3-5,7,11H2,(H,25,26).
What are the key properties of 5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 1394.90 g/mol, XLogP of 14.18, 11 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 163628545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).