5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one

C82H92N24O6S — CID 157340618

IUPAC5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCC(c3ccc4[nH][nH]c(=O)c4c3)C2)s1.Cn1cnc(NC2CCC(c3ccc4[nH][nH]c(=O)c4c3)C2)c1.O=c1[nH][nH]c2ccc(C3CCC(Nc4cc(C5CC5)[nH]n4)C3)cc12.O=c1[nH][nH]c2ccc(C3CCC(Nc4ccccn4)C3)cc12.O=c1[nH][nH]c2ccc(C3COCC(Nc4nccnn4)C3)cc12
InChIInChI=1S/C18H21N5O.C17H18N4O.C16H19N5O.C16H18N4OS.C15H16N6O2/c24-18-14-8-12(4-6-15(14)20-23-18)11-3-5-13(7-11)19-17-9-16(21-22-17)10-1-2-10;22-17-14-10-12(5-7-15(14)20-21-17)11-4-6-13(9-11)19-16-3-1-2-8-18-16;1-21-8-15(17-9-21)18-12-4-2-10(6-12)11-3-5-14-13(7-11)16(22)20-19-14;1-9-8-17-16(22-9)18-12-4-2-10(6-12)11-3-5-14-13(7-11)15(21)20-19-14;22-14-12-6-9(1-2-13(12)19-20-14)10-5-11(8-23-7-10)18-15-16-3-4-17-21-15/h4,6,8-11,13H,1-3,5,7H2,(H2,19,21,22)(H2,20,23,24);1-3,5,7-8,10-11,13H,4,6,9H2,(H,18,19)(H2,20,21,22);3,5,7-10,12,18H,2,4,6H2,1H3,(H2,19,20,22);3,5,7-8,10,12H,2,4,6H2,1H3,(H,17,18)(H2,19,20,21);1-4,6,10-11H,5,7-8H2,(H,16,18,21)(H2,19,20,22)
InChIKeyBGISEHSCTIAXQF-UHFFFAOYSA-N
MW1541.87 g/mol
LogP12.94
Rot. Bonds16

About 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one

5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one (PubChem CID 157340618) has the molecular formula C82H92N24O6S and a molecular weight of 1541.87 g/mol. Its IUPAC name is 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one
PubChem CID157340618
Molecular FormulaC82H92N24O6S
Molecular Weight1541.87 g/mol
Exact Mass1540.74
IUPAC Name5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCC(c3ccc4[nH][nH]c(=O)c4c3)C2)s1.Cn1cnc(NC2CCC(c3ccc4[nH][nH]c(=O)c4c3)C2)c1.O=c1[nH][nH]c2ccc(C3CCC(Nc4cc(C5CC5)[nH]n4)C3)cc12.O=c1[nH][nH]c2ccc(C3CCC(Nc4ccccn4)C3)cc12.O=c1[nH][nH]c2ccc(C3COCC(Nc4nccnn4)C3)cc12
InChIInChI=1S/C18H21N5O.C17H18N4O.C16H19N5O.C16H18N4OS.C15H16N6O2/c24-18-14-8-12(4-6-15(14)20-23-18)11-3-5-13(7-11)19-17-9-16(21-22-17)10-1-2-10;22-17-14-10-12(5-7-15(14)20-21-17)11-4-6-13(9-11)19-16-3-1-2-8-18-16;1-21-8-15(17-9-21)18-12-4-2-10(6-12)11-3-5-14-13(7-11)16(22)20-19-14;1-9-8-17-16(22-9)18-12-4-2-10(6-12)11-3-5-14-13(7-11)15(21)20-19-14;22-14-12-6-9(1-2-13(12)19-20-14)10-5-11(8-23-7-10)18-15-16-3-4-17-21-15/h4,6,8-11,13H,1-3,5,7H2,(H2,19,21,22)(H2,20,23,24);1-3,5,7-8,10-11,13H,4,6,9H2,(H,18,19)(H2,20,21,22);3,5,7-10,12,18H,2,4,6H2,1H3,(H2,19,20,22);3,5,7-8,10,12H,2,4,6H2,1H3,(H,17,18)(H2,19,20,21);1-4,6,10-11H,5,7-8H2,(H,16,18,21)(H2,19,20,22)
InChIKeyBGISEHSCTIAXQF-UHFFFAOYSA-N
XLogP12.94
TPSA423.58 Ų
H-Bond Donors16
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001541.87
LogP ≤ 512.94
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1020

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one (CID 157340618) is 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one is Cc1cnc(NC2CCC(c3ccc4[nH][nH]c(=O)c4c3)C2)s1.Cn1cnc(NC2CCC(c3ccc4[nH][nH]c(=O)c4c3)C2)c1.O=c1[nH][nH]c2ccc(C3CCC(Nc4cc(C5CC5)[nH]n4)C3)cc12.O=c1[nH][nH]c2ccc(C3CCC(Nc4ccccn4)C3)cc12.O=c1[nH][nH]c2ccc(C3COCC(Nc4nccnn4)C3)cc12.
What is the InChIKey of 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one?
The InChIKey is BGISEHSCTIAXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O.C17H18N4O.C16H19N5O.C16H18N4OS.C15H16N6O2/c24-18-14-8-12(4-6-15(14)20-23-18)11-3-5-13(7-11)19-17-9-16(21-22-17)10-1-2-10;22-17-14-10-12(5-7-15(14)20-21-17)11-4-6-13(9-11)19-16-3-1-2-8-18-16;1-21-8-15(17-9-21)18-12-4-2-10(6-12)11-3-5-14-13(7-11)16(22)20-19-14;1-9-8-17-16(22-9)18-12-4-2-10(6-12)11-3-5-14-13(7-11)15(21)20-19-14;22-14-12-6-9(1-2-13(12)19-20-14)10-5-11(8-23-7-10)18-15-16-3-4-17-21-15/h4,6,8-11,13H,1-3,5,7H2,(H2,19,21,22)(H2,20,23,24);1-3,5,7-8,10-11,13H,4,6,9H2,(H,18,19)(H2,20,21,22);3,5,7-10,12,18H,2,4,6H2,1H3,(H2,19,20,22);3,5,7-8,10,12H,2,4,6H2,1H3,(H,17,18)(H2,19,20,21);1-4,6,10-11H,5,7-8H2,(H,16,18,21)(H2,19,20,22).
What are the key properties of 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one?
5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one has a molecular weight of 1541.87 g/mol, XLogP of 12.94, 16 rotatable bonds, 16 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one;5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 157340618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).