5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one — IUPAC name, SMILES, InChIKey & properties

Name: 5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one

5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (PubChem CID 159555715) has the molecular formula C90H65F14N29O5 and a molecular weight of 1898.68 g/mol. Its IUPAC name is 5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name	5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
PubChem CID	159555715
Molecular Formula	C90H65F14N29O5
Molecular Weight	1898.68 g/mol
Exact Mass	1897.55
IUPAC Name	5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILES	CCc1cccc2c(Nc3cc(C)[nH]n3)nc(-c3ccc4[nH][nH]c(=O)c4c3OC(F)(F)F)nc12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5ccccc45)c4cccnc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc4c(c(Nc5n[nH]c6c(F)cccc56)n3)CCCCC4)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc4c(c(Nc5n[nH]c6ccc(F)cc56)n3)CCC4)c(C(F)(F)F)c12
InChI	InChI=1S/C24H19F4N7O.C22H15F4N7O.C22H13F3N8O.C22H18F3N7O2/c25-14-7-4-6-13-19(14)33-34-22(13)31-20-11-5-2-1-3-8-15(11)29-21(30-20)12-9-10-16-17(23(36)35-32-16)18(12)24(26,27)28;23-9-4-6-14-12(8-9)20(32-30-14)29-18-10-2-1-3-13(10)27-19(28-18)11-5-7-15-16(21(34)33-31-15)17(11)22(24,25)26;23-22(24,25)16-11(7-8-14-15(16)21(34)33-31-14)18-27-17-12(5-3-9-26-17)19(28-18)29-20-10-4-1-2-6-13(10)30-32-20;1-3-11-5-4-6-12-17(11)27-20(28-19(12)26-15-9-10(2)29-31-15)13-7-8-14-16(21(33)32-30-14)18(13)34-22(23,24)25/h4,6-7,9-10H,1-3,5,8H2,(H2,32,35,36)(H2,29,30,31,33,34);4-8H,1-3H2,(H2,31,33,34)(H2,27,28,29,30,32);1-9H,(H2,31,33,34)(H2,26,27,28,29,30,32);4-9H,3H2,1-2H3,(H2,30,32,33)(H2,26,27,28,29,31)
InChIKey	MFYOLXBPUXBGOP-UHFFFAOYSA-N
XLogP	19.14
TPSA	482.68 Å²
H-Bond Donors	16
H-Bond Acceptors	22
Rotatable Bonds	14
Heavy Atoms	138
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1898.68
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	22

Analyze 5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The IUPAC name of 5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (CID 159555715) is 5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.

What is the SMILES notation for 5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The canonical SMILES for 5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is CCc1cccc2c(Nc3cc(C)[nH]n3)nc(-c3ccc4[nH][nH]c(=O)c4c3OC(F)(F)F)nc12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5ccccc45)c4cccnc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc4c(c(Nc5n[nH]c6c(F)cccc56)n3)CCCCC4)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc4c(c(Nc5n[nH]c6ccc(F)cc56)n3)CCC4)c(C(F)(F)F)c12.

What is the InChIKey of 5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The InChIKey is MFYOLXBPUXBGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N7O.C22H15F4N7O.C22H13F3N8O.C22H18F3N7O2/c25-14-7-4-6-13-19(14)33-34-22(13)31-20-11-5-2-1-3-8-15(11)29-21(30-20)12-9-10-16-17(23(36)35-32-16)18(12)24(26,27)28;23-9-4-6-14-12(8-9)20(32-30-14)29-18-10-2-1-3-13(10)27-19(28-18)11-5-7-15-16(21(34)33-31-15)17(11)22(24,25)26;23-22(24,25)16-11(7-8-14-15(16)21(34)33-31-14)18-27-17-12(5-3-9-26-17)19(28-18)29-20-10-4-1-2-6-13(10)30-32-20;1-3-11-5-4-6-12-17(11)27-20(28-19(12)26-15-9-10(2)29-31-15)13-7-8-14-16(21(33)32-30-14)18(13)34-22(23,24)25/h4,6-7,9-10H,1-3,5,8H2,(H2,32,35,36)(H2,29,30,31,33,34);4-8H,1-3H2,(H2,31,33,34)(H2,27,28,29,30,32);1-9H,(H2,31,33,34)(H2,26,27,28,29,30,32);4-9H,3H2,1-2H3,(H2,30,32,33)(H2,26,27,28,29,31).

What are the key properties of 5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?

Where does this data come from?

All data for 5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159555715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).