5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one — IUPAC name, SMILES, InChIKey & properties

Name: 5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one

5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one (PubChem CID 158080438) has the molecular formula C90H64F9N29O5 and a molecular weight of 1802.68 g/mol. Its IUPAC name is 5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name	5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one
PubChem CID	158080438
Molecular Formula	C90H64F9N29O5
Molecular Weight	1802.68 g/mol
Exact Mass	1801.55
IUPAC Name	5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one
SMILES	COc1c(-c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)ccc2[nH][nH]c(=O)c12.Cc1nc(-c2ccc3[nH][nH]c(=O)c3c2C(F)(F)F)nc(Nc2n[nH]c3ccccc23)c1C.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5ccccc45)cc(-c4ccccc4)n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5ccccc45)cc(-c4ccccn4)n3)c(C(F)(F)F)c12
InChI	InChI=1S/C25H16F3N7O.C24H15F3N8O.C21H16F3N7O.C20H17N7O2/c26-25(27,28)21-15(10-11-17-20(21)24(36)35-33-17)22-29-18(13-6-2-1-3-7-13)12-19(30-22)31-23-14-8-4-5-9-16(14)32-34-23;25-24(26,27)20-13(8-9-16-19(20)23(36)35-33-16)21-29-17(15-7-3-4-10-28-15)11-18(30-21)31-22-12-5-1-2-6-14(12)32-34-22;1-9-10(2)25-18(26-17(9)27-19-11-5-3-4-6-13(11)28-30-19)12-7-8-14-15(20(32)31-29-14)16(12)21(22,23)24;1-10-9-15(26-24-10)22-18-11-5-3-4-6-13(11)21-19(23-18)12-7-8-14-16(17(12)29-2)20(28)27-25-14/h1-12H,(H2,33,35,36)(H2,29,30,31,32,34);1-11H,(H2,33,35,36)(H2,29,30,31,32,34);3-8H,1-2H3,(H2,29,31,32)(H2,25,26,27,28,30);3-9H,1-2H3,(H2,25,27,28)(H2,21,22,23,24,26)
InChIKey	FMWSOFRIPADBGU-UHFFFAOYSA-N
XLogP	18.45
TPSA	482.68 Å²
H-Bond Donors	16
H-Bond Acceptors	22
Rotatable Bonds	15
Heavy Atoms	133
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1802.68
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	22

Analyze 5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one?

The IUPAC name of 5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one (CID 158080438) is 5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one.

What is the SMILES notation for 5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one?

The canonical SMILES for 5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one is COc1c(-c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)ccc2[nH][nH]c(=O)c12.Cc1nc(-c2ccc3[nH][nH]c(=O)c3c2C(F)(F)F)nc(Nc2n[nH]c3ccccc23)c1C.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5ccccc45)cc(-c4ccccc4)n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5ccccc45)cc(-c4ccccn4)n3)c(C(F)(F)F)c12.

What is the InChIKey of 5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one?

The InChIKey is FMWSOFRIPADBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N7O.C24H15F3N8O.C21H16F3N7O.C20H17N7O2/c26-25(27,28)21-15(10-11-17-20(21)24(36)35-33-17)22-29-18(13-6-2-1-3-7-13)12-19(30-22)31-23-14-8-4-5-9-16(14)32-34-23;25-24(26,27)20-13(8-9-16-19(20)23(36)35-33-16)21-29-17(15-7-3-4-10-28-15)11-18(30-21)31-22-12-5-1-2-6-14(12)32-34-22;1-9-10(2)25-18(26-17(9)27-19-11-5-3-4-6-13(11)28-30-19)12-7-8-14-15(20(32)31-29-14)16(12)21(22,23)24;1-10-9-15(26-24-10)22-18-11-5-3-4-6-13(11)21-19(23-18)12-7-8-14-16(17(12)29-2)20(28)27-25-14/h1-12H,(H2,33,35,36)(H2,29,30,31,32,34);1-11H,(H2,33,35,36)(H2,29,30,31,32,34);3-8H,1-2H3,(H2,29,31,32)(H2,25,26,27,28,30);3-9H,1-2H3,(H2,25,27,28)(H2,21,22,23,24,26).

What are the key properties of 5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one?

Where does this data come from?

All data for 5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 158080438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).