6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one

C91H93N25O10 — CID 159420730

IUPAC6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one
SMILESO=C(CC(=O)Nc1ccccc1)Cc1ccc2c(=O)[nH][nH]c2c1.O=C(CC(=O)Nc1nccnn1)Cc1ccc2c(=O)[nH][nH]c2c1.O=c1[nH][nH]c2cc(CC(CCNc3cc(C4CC4)[nH]n3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(CCCC(Nc3cc(C4CC4)[nH]n3)c3ccccc3)ccc12.O=c1[nH][nH]c2cc(CCCONc3nccnn3)ccc12
InChIInChI=1S/C24H27N5O.C23H25N5O.C17H15N3O3.C14H12N6O3.C13H14N6O2/c30-24-20-9-6-17(14-22(20)27-29-24)13-18(12-16-4-2-1-3-5-16)10-11-25-23-15-21(26-28-23)19-7-8-19;29-23-18-12-9-15(13-21(18)26-28-23)5-4-8-19(16-6-2-1-3-7-16)24-22-14-20(25-27-22)17-10-11-17;21-13(10-16(22)18-12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)19-20-17(14)23;21-9(7-12(22)17-14-15-3-4-16-20-14)5-8-1-2-10-11(6-8)18-19-13(10)23;20-12-10-4-3-9(8-11(10)16-17-12)2-1-7-21-19-13-14-5-6-15-18-13/h1-6,9,14-15,18-19H,7-8,10-13H2,(H2,25,26,28)(H2,27,29,30);1-3,6-7,9,12-14,17,19H,4-5,8,10-11H2,(H2,24,25,27)(H2,26,28,29);1-7,9H,8,10H2,(H,18,22)(H2,19,20,23);1-4,6H,5,7H2,(H2,18,19,23)(H,15,17,20,22);3-6,8H,1-2,7H2,(H,14,18,19)(H2,16,17,20)
InChIKeyLPSQZJVIAOWDLX-UHFFFAOYSA-N
MW1696.91 g/mol
LogP12.19
Rot. Bonds33

About 6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one

6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one (PubChem CID 159420730) has the molecular formula C91H93N25O10 and a molecular weight of 1696.91 g/mol. Its IUPAC name is 6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one
PubChem CID159420730
Molecular FormulaC91H93N25O10
Molecular Weight1696.91 g/mol
Exact Mass1695.75
IUPAC Name6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one
SMILESO=C(CC(=O)Nc1ccccc1)Cc1ccc2c(=O)[nH][nH]c2c1.O=C(CC(=O)Nc1nccnn1)Cc1ccc2c(=O)[nH][nH]c2c1.O=c1[nH][nH]c2cc(CC(CCNc3cc(C4CC4)[nH]n3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(CCCC(Nc3cc(C4CC4)[nH]n3)c3ccccc3)ccc12.O=c1[nH][nH]c2cc(CCCONc3nccnn3)ccc12
InChIInChI=1S/C24H27N5O.C23H25N5O.C17H15N3O3.C14H12N6O3.C13H14N6O2/c30-24-20-9-6-17(14-22(20)27-29-24)13-18(12-16-4-2-1-3-5-16)10-11-25-23-15-21(26-28-23)19-7-8-19;29-23-18-12-9-15(13-21(18)26-28-23)5-4-8-19(16-6-2-1-3-7-16)24-22-14-20(25-27-22)17-10-11-17;21-13(10-16(22)18-12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)19-20-17(14)23;21-9(7-12(22)17-14-15-3-4-16-20-14)5-8-1-2-10-11(6-8)18-19-13(10)23;20-12-10-4-3-9(8-11(10)16-17-12)2-1-7-21-19-13-14-5-6-15-18-13/h1-6,9,14-15,18-19H,7-8,10-13H2,(H2,25,26,28)(H2,27,29,30);1-3,6-7,9,12-14,17,19H,4-5,8,10-11H2,(H2,24,25,27)(H2,26,28,29);1-7,9H,8,10H2,(H,18,22)(H2,19,20,23);1-4,6H,5,7H2,(H2,18,19,23)(H,15,17,20,22);3-6,8H,1-2,7H2,(H,14,18,19)(H2,16,17,20)
InChIKeyLPSQZJVIAOWDLX-UHFFFAOYSA-N
XLogP12.19
TPSA515.61 Ų
H-Bond Donors17
H-Bond Acceptors21
Rotatable Bonds33
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001696.91
LogP ≤ 512.19
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one (CID 159420730) is 6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one is O=C(CC(=O)Nc1ccccc1)Cc1ccc2c(=O)[nH][nH]c2c1.O=C(CC(=O)Nc1nccnn1)Cc1ccc2c(=O)[nH][nH]c2c1.O=c1[nH][nH]c2cc(CC(CCNc3cc(C4CC4)[nH]n3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(CCCC(Nc3cc(C4CC4)[nH]n3)c3ccccc3)ccc12.O=c1[nH][nH]c2cc(CCCONc3nccnn3)ccc12.
What is the InChIKey of 6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one?
The InChIKey is LPSQZJVIAOWDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O.C23H25N5O.C17H15N3O3.C14H12N6O3.C13H14N6O2/c30-24-20-9-6-17(14-22(20)27-29-24)13-18(12-16-4-2-1-3-5-16)10-11-25-23-15-21(26-28-23)19-7-8-19;29-23-18-12-9-15(13-21(18)26-28-23)5-4-8-19(16-6-2-1-3-7-16)24-22-14-20(25-27-22)17-10-11-17;21-13(10-16(22)18-12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)19-20-17(14)23;21-9(7-12(22)17-14-15-3-4-16-20-14)5-8-1-2-10-11(6-8)18-19-13(10)23;20-12-10-4-3-9(8-11(10)16-17-12)2-1-7-21-19-13-14-5-6-15-18-13/h1-6,9,14-15,18-19H,7-8,10-13H2,(H2,25,26,28)(H2,27,29,30);1-3,6-7,9,12-14,17,19H,4-5,8,10-11H2,(H2,24,25,27)(H2,26,28,29);1-7,9H,8,10H2,(H,18,22)(H2,19,20,23);1-4,6H,5,7H2,(H2,18,19,23)(H,15,17,20,22);3-6,8H,1-2,7H2,(H,14,18,19)(H2,16,17,20).
What are the key properties of 6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one?
6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one has a molecular weight of 1696.91 g/mol, XLogP of 12.19, 33 rotatable bonds, 17 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-benzyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-phenylbutanamide;3-oxo-4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide;6-[3-(1,2,4-triazin-3-ylamino)oxypropyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159420730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).