2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile

C91H74BrCl3F2N26O5S4 — CID 159340992

About 2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile

2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile (PubChem CID 159340992) has the molecular formula C91H74BrCl3F2N26O5S4 and a molecular weight of 1964.30 g/mol. Its IUPAC name is 2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: 2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
• PubChem CID: 159340992
• Molecular Formula: C91H74BrCl3F2N26O5S4
• Molecular Weight: 1964.30 g/mol
• Exact Mass: 1960.34
• IUPAC Name: 2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
• SMILES: Cc1ccc(Nc2nc3ncc(C#N)c(Nc4c(Cl)ccc5c4OCO5)c3s2)cc1.N#Cc1cnc2nc(Nc3ccc(CN4CCC(N)CC4)cc3)sc2c1Nc1ccc(F)c(Cl)c1.N#Cc1cnc2nc(Nc3ccc(CN4CCOCC4)cc3)sc2c1Nc1cc(Br)cc2c1OCO2.N#Cc1cnc2nc(Nc3ccc(NCCN)nc3)sc2c1Nc1ccc(F)c(Cl)c1
• InChI: InChI=1S/C25H21BrN6O3S.C25H23ClFN7S.C21H14ClN5O2S.C20H16ClFN8S/c26-17-9-19(22-20(10-17)34-14-35-22)30-21-16(11-27)12-28-24-23(21)36-25(31-24)29-18-3-1-15(2-4-18)13-32-5-7-33-8-6-32;26-20-11-19(5-6-21(20)27)31-22-16(12-28)13-30-24-23(22)35-25(33-24)32-18-3-1-15(2-4-18)14-34-9-7-17(29)8-10-34;1-11-2-4-13(5-3-11)25-21-27-20-19(30-21)16(12(8-23)9-24-20)26-17-14(22)6-7-15-18(17)29-10-28-15;21-14-7-12(1-3-15(14)22)28-17-11(8-24)9-27-19-18(17)31-20(30-19)29-13-2-4-16(26-10-13)25-6-5-23/h1-4,9-10,12H,5-8,13-14H2,(H2,28,29,30,31);1-6,11,13,17H,7-10,14,29H2,(H2,30,31,32,33);2-7,9H,10H2,1H3,(H2,24,25,26,27);1-4,7,9-10H,5-6,23H2,(H,25,26)(H2,27,28,29,30)
• InChIKey: LGDFPDQGBDMRLQ-UHFFFAOYSA-N
• XLogP: 21.49
• TPSA: 424.11 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1964.30
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?

The IUPAC name of 2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile (CID 159340992) is 2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile.

What is the SMILES notation for 2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?

The canonical SMILES for 2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile is Cc1ccc(Nc2nc3ncc(C#N)c(Nc4c(Cl)ccc5c4OCO5)c3s2)cc1.N#Cc1cnc2nc(Nc3ccc(CN4CCC(N)CC4)cc3)sc2c1Nc1ccc(F)c(Cl)c1.N#Cc1cnc2nc(Nc3ccc(CN4CCOCC4)cc3)sc2c1Nc1cc(Br)cc2c1OCO2.N#Cc1cnc2nc(Nc3ccc(NCCN)nc3)sc2c1Nc1ccc(F)c(Cl)c1.

What is the InChIKey of 2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?

The InChIKey is LGDFPDQGBDMRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN6O3S.C25H23ClFN7S.C21H14ClN5O2S.C20H16ClFN8S/c26-17-9-19(22-20(10-17)34-14-35-22)30-21-16(11-27)12-28-24-23(21)36-25(31-24)29-18-3-1-15(2-4-18)13-32-5-7-33-8-6-32;26-20-11-19(5-6-21(20)27)31-22-16(12-28)13-30-24-23(22)35-25(33-24)32-18-3-1-15(2-4-18)14-34-9-7-17(29)8-10-34;1-11-2-4-13(5-3-11)25-21-27-20-19(30-21)16(12(8-23)9-24-20)26-17-14(22)6-7-15-18(17)29-10-28-15;21-14-7-12(1-3-15(14)22)28-17-11(8-24)9-27-19-18(17)31-20(30-19)29-13-2-4-16(26-10-13)25-6-5-23/h1-4,9-10,12H,5-8,13-14H2,(H2,28,29,30,31);1-6,11,13,17H,7-10,14,29H2,(H2,30,31,32,33);2-7,9H,10H2,1H3,(H2,24,25,26,27);1-4,7,9-10H,5-6,23H2,(H,25,26)(H2,27,28,29,30).

What are the key properties of 2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?

2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 1964.30 g/mol, XLogP of 21.49, 23 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 159340992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).