6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one

C100H111N27O5S — CID 157206330

IUPAC6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC2CNc2ccc3c(=O)[nH][nH]c3c2)s1.O=c1[nH][nH]c2cc(CC(CCNc3ccccn3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(CC(CCNc3nccnn3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(CCCC(Nc3nccnn3)c3ccccc3)ccc12.O=c1[nH][nH]c2cc(NCC3CCCC3Nc3cc(C4CC4)[nH]n3)ccc12
InChIInChI=1S/C23H24N4O.C21H22N6O.C20H20N6O.C19H24N6O.C17H21N5OS/c28-23-20-10-9-18(16-21(20)26-27-23)15-19(14-17-6-2-1-3-7-17)11-13-25-22-8-4-5-12-24-22;28-20-18-7-6-16(14-19(18)25-26-20)13-17(12-15-4-2-1-3-5-15)8-9-22-21-23-10-11-24-27-21;27-19-16-10-9-14(13-18(16)24-25-19)5-4-8-17(15-6-2-1-3-7-15)23-20-21-11-12-22-26-20;26-19-14-7-6-13(8-17(14)23-25-19)20-10-12-2-1-3-15(12)21-18-9-16(22-24-18)11-4-5-11;1-10-8-19-17(24-10)20-14-4-2-3-11(14)9-18-12-5-6-13-15(7-12)21-22-16(13)23/h1-10,12,16,19H,11,13-15H2,(H,24,25)(H2,26,27,28);1-7,10-11,14,17H,8-9,12-13H2,(H,22,23,27)(H2,25,26,28);1-3,6-7,9-13,17H,4-5,8H2,(H,21,23,26)(H2,24,25,27);6-9,11-12,15,20H,1-5,10H2,(H2,21,22,24)(H2,23,25,26);5-8,11,14,18H,2-4,9H2,1H3,(H,19,20)(H2,21,22,23)
InChIKeyARKBQEUTLVVEHF-UHFFFAOYSA-N
MW1803.24 g/mol
LogP16.78
Rot. Bonds34

About 6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one

6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one (PubChem CID 157206330) has the molecular formula C100H111N27O5S and a molecular weight of 1803.24 g/mol. Its IUPAC name is 6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one
PubChem CID157206330
Molecular FormulaC100H111N27O5S
Molecular Weight1803.24 g/mol
Exact Mass1801.90
IUPAC Name6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC2CNc2ccc3c(=O)[nH][nH]c3c2)s1.O=c1[nH][nH]c2cc(CC(CCNc3ccccn3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(CC(CCNc3nccnn3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(CCCC(Nc3nccnn3)c3ccccc3)ccc12.O=c1[nH][nH]c2cc(NCC3CCCC3Nc3cc(C4CC4)[nH]n3)ccc12
InChIInChI=1S/C23H24N4O.C21H22N6O.C20H20N6O.C19H24N6O.C17H21N5OS/c28-23-20-10-9-18(16-21(20)26-27-23)15-19(14-17-6-2-1-3-7-17)11-13-25-22-8-4-5-12-24-22;28-20-18-7-6-16(14-19(18)25-26-20)13-17(12-15-4-2-1-3-5-15)8-9-22-21-23-10-11-24-27-21;27-19-16-10-9-14(13-18(16)24-25-19)5-4-8-17(15-6-2-1-3-7-15)23-20-21-11-12-22-26-20;26-19-14-7-6-13(8-17(14)23-25-19)20-10-12-2-1-3-15(12)21-18-9-16(22-24-18)11-4-5-11;1-10-8-19-17(24-10)20-14-4-2-3-11(14)9-18-12-5-6-13-15(7-12)21-22-16(13)23/h1-10,12,16,19H,11,13-15H2,(H,24,25)(H2,26,27,28);1-7,10-11,14,17H,8-9,12-13H2,(H,22,23,27)(H2,25,26,28);1-3,6-7,9-13,17H,4-5,8H2,(H,21,23,26)(H2,24,25,27);6-9,11-12,15,20H,1-5,10H2,(H2,21,22,24)(H2,23,25,26);5-8,11,14,18H,2-4,9H2,1H3,(H,19,20)(H2,21,22,23)
InChIKeyARKBQEUTLVVEHF-UHFFFAOYSA-N
XLogP16.78
TPSA459.26 Ų
H-Bond Donors18
H-Bond Acceptors22
Rotatable Bonds34
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001803.24
LogP ≤ 516.78
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1022

Analyze 6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one (CID 157206330) is 6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one is Cc1cnc(NC2CCCC2CNc2ccc3c(=O)[nH][nH]c3c2)s1.O=c1[nH][nH]c2cc(CC(CCNc3ccccn3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(CC(CCNc3nccnn3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(CCCC(Nc3nccnn3)c3ccccc3)ccc12.O=c1[nH][nH]c2cc(NCC3CCCC3Nc3cc(C4CC4)[nH]n3)ccc12.
What is the InChIKey of 6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one?
The InChIKey is ARKBQEUTLVVEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.C21H22N6O.C20H20N6O.C19H24N6O.C17H21N5OS/c28-23-20-10-9-18(16-21(20)26-27-23)15-19(14-17-6-2-1-3-7-17)11-13-25-22-8-4-5-12-24-22;28-20-18-7-6-16(14-19(18)25-26-20)13-17(12-15-4-2-1-3-5-15)8-9-22-21-23-10-11-24-27-21;27-19-16-10-9-14(13-18(16)24-25-19)5-4-8-17(15-6-2-1-3-7-15)23-20-21-11-12-22-26-20;26-19-14-7-6-13(8-17(14)23-25-19)20-10-12-2-1-3-15(12)21-18-9-16(22-24-18)11-4-5-11;1-10-8-19-17(24-10)20-14-4-2-3-11(14)9-18-12-5-6-13-15(7-12)21-22-16(13)23/h1-10,12,16,19H,11,13-15H2,(H,24,25)(H2,26,27,28);1-7,10-11,14,17H,8-9,12-13H2,(H,22,23,27)(H2,25,26,28);1-3,6-7,9-13,17H,4-5,8H2,(H,21,23,26)(H2,24,25,27);6-9,11-12,15,20H,1-5,10H2,(H2,21,22,24)(H2,23,25,26);5-8,11,14,18H,2-4,9H2,1H3,(H,19,20)(H2,21,22,23).
What are the key properties of 6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one?
6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one has a molecular weight of 1803.24 g/mol, XLogP of 16.78, 34 rotatable bonds, 18 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-benzyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one;6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(1,2,4-triazin-3-ylamino)butyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 157206330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).