6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one

C106H111N23O10S2 — CID 160545063

IUPAC6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC(CCOc2ccc3c(=O)[nH][nH]c3c2)c2ccccc2)s1.Cc1cnc(NCCC(Cc2ccccc2)Oc2ccc3c(=O)[nH][nH]c3c2)s1.Cn1cnc(NC(CCOc2ccc3c(=O)[nH][nH]c3c2)c2ccccc2)c1.O=c1[nH][nH]c2cc(OC(CCNc3cc(C4CC4)[nH]n3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(OCCC(Nc3cc(C4CC4)[nH]n3)c3ccccc3)ccc12
InChIInChI=1S/C23H25N5O2.C22H23N5O2.C21H22N4O2S.C20H21N5O2.C20H20N4O2S/c29-23-19-9-8-17(13-21(19)26-28-23)30-18(12-15-4-2-1-3-5-15)10-11-24-22-14-20(25-27-22)16-6-7-16;28-22-17-9-8-16(12-20(17)25-27-22)29-11-10-18(14-4-2-1-3-5-14)23-21-13-19(24-26-21)15-6-7-15;1-14-13-23-21(28-14)22-10-9-17(11-15-5-3-2-4-6-15)27-16-7-8-18-19(12-16)24-25-20(18)26;1-25-12-19(21-13-25)22-17(14-5-3-2-4-6-14)9-10-27-15-7-8-16-18(11-15)23-24-20(16)26;1-13-12-21-20(27-13)22-17(14-5-3-2-4-6-14)9-10-26-15-7-8-16-18(11-15)23-24-19(16)25/h1-5,8-9,13-14,16,18H,6-7,10-12H2,(H2,24,25,27)(H2,26,28,29);1-5,8-9,12-13,15,18H,6-7,10-11H2,(H2,23,24,26)(H2,25,27,28);2-8,12-13,17H,9-11H2,1H3,(H,22,23)(H2,24,25,26);2-8,11-13,17,22H,9-10H2,1H3,(H2,23,24,26);2-8,11-12,17H,9-10H2,1H3,(H,21,22)(H2,23,24,25)
InChIKeyQXHUCHLPKTUQKW-UHFFFAOYSA-N
MW1931.34 g/mol
LogP19.60
Rot. Bonds39

About 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one

6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one (PubChem CID 160545063) has the molecular formula C106H111N23O10S2 and a molecular weight of 1931.34 g/mol. Its IUPAC name is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one
PubChem CID160545063
Molecular FormulaC106H111N23O10S2
Molecular Weight1931.34 g/mol
Exact Mass1929.83
IUPAC Name6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC(CCOc2ccc3c(=O)[nH][nH]c3c2)c2ccccc2)s1.Cc1cnc(NCCC(Cc2ccccc2)Oc2ccc3c(=O)[nH][nH]c3c2)s1.Cn1cnc(NC(CCOc2ccc3c(=O)[nH][nH]c3c2)c2ccccc2)c1.O=c1[nH][nH]c2cc(OC(CCNc3cc(C4CC4)[nH]n3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(OCCC(Nc3cc(C4CC4)[nH]n3)c3ccccc3)ccc12
InChIInChI=1S/C23H25N5O2.C22H23N5O2.C21H22N4O2S.C20H21N5O2.C20H20N4O2S/c29-23-19-9-8-17(13-21(19)26-28-23)30-18(12-15-4-2-1-3-5-15)10-11-24-22-14-20(25-27-22)16-6-7-16;28-22-17-9-8-16(12-20(17)25-27-22)29-11-10-18(14-4-2-1-3-5-14)23-21-13-19(24-26-21)15-6-7-15;1-14-13-23-21(28-14)22-10-9-17(11-15-5-3-2-4-6-15)27-16-7-8-18-19(12-16)24-25-20(18)26;1-25-12-19(21-13-25)22-17(14-5-3-2-4-6-14)9-10-27-15-7-8-16-18(11-15)23-24-20(16)26;1-13-12-21-20(27-13)22-17(14-5-3-2-4-6-14)9-10-26-15-7-8-16-18(11-15)23-24-19(16)25/h1-5,8-9,13-14,16,18H,6-7,10-12H2,(H2,24,25,27)(H2,26,28,29);1-5,8-9,12-13,15,18H,6-7,10-11H2,(H2,23,24,26)(H2,25,27,28);2-8,12-13,17H,9-11H2,1H3,(H,22,23)(H2,24,25,26);2-8,11-13,17,22H,9-10H2,1H3,(H2,23,24,26);2-8,11-12,17H,9-10H2,1H3,(H,21,22)(H2,23,24,25)
InChIKeyQXHUCHLPKTUQKW-UHFFFAOYSA-N
XLogP19.60
TPSA450.51 Ų
H-Bond Donors17
H-Bond Acceptors23
Rotatable Bonds39
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001931.34
LogP ≤ 519.60
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1023

Analyze 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one (CID 160545063) is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one is Cc1cnc(NC(CCOc2ccc3c(=O)[nH][nH]c3c2)c2ccccc2)s1.Cc1cnc(NCCC(Cc2ccccc2)Oc2ccc3c(=O)[nH][nH]c3c2)s1.Cn1cnc(NC(CCOc2ccc3c(=O)[nH][nH]c3c2)c2ccccc2)c1.O=c1[nH][nH]c2cc(OC(CCNc3cc(C4CC4)[nH]n3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(OCCC(Nc3cc(C4CC4)[nH]n3)c3ccccc3)ccc12.
What is the InChIKey of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one?
The InChIKey is QXHUCHLPKTUQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2.C22H23N5O2.C21H22N4O2S.C20H21N5O2.C20H20N4O2S/c29-23-19-9-8-17(13-21(19)26-28-23)30-18(12-15-4-2-1-3-5-15)10-11-24-22-14-20(25-27-22)16-6-7-16;28-22-17-9-8-16(12-20(17)25-27-22)29-11-10-18(14-4-2-1-3-5-14)23-21-13-19(24-26-21)15-6-7-15;1-14-13-23-21(28-14)22-10-9-17(11-15-5-3-2-4-6-15)27-16-7-8-18-19(12-16)24-25-20(18)26;1-25-12-19(21-13-25)22-17(14-5-3-2-4-6-14)9-10-27-15-7-8-16-18(11-15)23-24-20(16)26;1-13-12-21-20(27-13)22-17(14-5-3-2-4-6-14)9-10-26-15-7-8-16-18(11-15)23-24-19(16)25/h1-5,8-9,13-14,16,18H,6-7,10-12H2,(H2,24,25,27)(H2,26,28,29);1-5,8-9,12-13,15,18H,6-7,10-11H2,(H2,23,24,26)(H2,25,27,28);2-8,12-13,17H,9-11H2,1H3,(H,22,23)(H2,24,25,26);2-8,11-13,17,22H,9-10H2,1H3,(H2,23,24,26);2-8,11-12,17H,9-10H2,1H3,(H,21,22)(H2,23,24,25).
What are the key properties of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one?
6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one has a molecular weight of 1931.34 g/mol, XLogP of 19.60, 39 rotatable bonds, 17 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropoxy]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 160545063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).