4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one

C79H60Cl2F6N30O4 — CID 158202177

About 4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one

4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one (PubChem CID 158202177) has the molecular formula C79H60Cl2F6N30O4 and a molecular weight of 1678.45 g/mol. Its IUPAC name is 4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
• PubChem CID: 158202177
• Molecular Formula: C79H60Cl2F6N30O4
• Molecular Weight: 1678.45 g/mol
• Exact Mass: 1676.47
• IUPAC Name: 4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
• SMILES: Cc1cc(Nc2cc(-c3cc4c(=O)[nH][nH]c4cc3Cl)nc3c2CCCC3)n[nH]1.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(Nc4n[nH]c(C5CC5)n4)c4ccccc4n3)cc12.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc4cccnc4c(Nc4ncn[nH]4)n3)cc12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c(C5CC5)n4)c4ccncc4n3)c(Cl)c12
• InChI: InChI=1S/C22H16F3N7O.C20H19ClN6O.C19H14ClN9O.C18H11F3N8O/c23-22(24,25)14-8-18-13(20(33)31-29-18)7-12(14)17-9-16(11-3-1-2-4-15(11)26-17)27-21-28-19(30-32-21)10-5-6-10;1-10-6-19(26-24-10)23-16-9-17(22-15-5-3-2-4-11(15)16)12-7-13-18(8-14(12)21)25-27-20(13)28;20-14-10(3-4-11-13(14)18(30)28-26-11)17-22-12-7-21-6-5-9(12)16(23-17)25-19-24-15(27-29-19)8-1-2-8;19-18(20,21)11-6-13-10(16(30)28-27-13)5-9(11)12-4-8-2-1-3-22-14(8)15(25-12)26-17-23-7-24-29-17/h1-4,7-10H,5-6H2,(H2,29,31,33)(H2,26,27,28,30,32);6-9H,2-5H2,1H3,(H2,25,27,28)(H2,22,23,24,26);3-8H,1-2H2,(H2,26,28,30)(H2,22,23,24,25,27,29);1-7H,(H2,27,28,30)(H2,23,24,25,26,29)
• InChIKey: GBBNATRMXXPICK-UHFFFAOYSA-N
• XLogP: 15.66
• TPSA: 486.34 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1678.45
LogP ≤ 5	15.66
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The IUPAC name of 4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one (CID 158202177) is 4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one.

What is the SMILES notation for 4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The canonical SMILES for 4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one is Cc1cc(Nc2cc(-c3cc4c(=O)[nH][nH]c4cc3Cl)nc3c2CCCC3)n[nH]1.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(Nc4n[nH]c(C5CC5)n4)c4ccccc4n3)cc12.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc4cccnc4c(Nc4ncn[nH]4)n3)cc12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c(C5CC5)n4)c4ccncc4n3)c(Cl)c12.

What is the InChIKey of 4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The InChIKey is GBBNATRMXXPICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N7O.C20H19ClN6O.C19H14ClN9O.C18H11F3N8O/c23-22(24,25)14-8-18-13(20(33)31-29-18)7-12(14)17-9-16(11-3-1-2-4-15(11)26-17)27-21-28-19(30-32-21)10-5-6-10;1-10-6-19(26-24-10)23-16-9-17(22-15-5-3-2-4-11(15)16)12-7-13-18(8-14(12)21)25-27-20(13)28;20-14-10(3-4-11-13(14)18(30)28-26-11)17-22-12-7-21-6-5-9(12)16(23-17)25-19-24-15(27-29-19)8-1-2-8;19-18(20,21)11-6-13-10(16(30)28-27-13)5-9(11)12-4-8-2-1-3-22-14(8)15(25-12)26-17-23-7-24-29-17/h1-4,7-10H,5-6H2,(H2,29,31,33)(H2,26,27,28,30,32);6-9H,2-5H2,1H3,(H2,25,27,28)(H2,22,23,24,26);3-8H,1-2H2,(H2,26,28,30)(H2,22,23,24,25,27,29);1-7H,(H2,27,28,30)(H2,23,24,25,26,29).

What are the key properties of 4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one has a molecular weight of 1678.45 g/mol, XLogP of 15.66, 14 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 158202177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).