6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one

C103H103N25O10 — CID 159232875

IUPAC6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one
SMILESCn1cnc(NCCC(Cc2ccccc2)Oc2ccc3c(=O)[nH][nH]c3c2)c1.O=c1[nH][nH]c2cc(OC(CCNc3ccccn3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(OC(CCNc3nccnn3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(OCCC(Nc3ccccn3)c3ccccc3)ccc12.O=c1[nH][nH]c2cc(OCCC(Nc3nccnn3)c3ccccc3)ccc12
InChIInChI=1S/C22H22N4O2.C21H23N5O2.C21H20N4O2.C20H20N6O2.C19H18N6O2/c27-22-19-10-9-17(15-20(19)25-26-22)28-18(14-16-6-2-1-3-7-16)11-13-24-21-8-4-5-12-23-21;1-26-13-20(23-14-26)22-10-9-17(11-15-5-3-2-4-6-15)28-16-7-8-18-19(12-16)24-25-21(18)27;26-21-17-10-9-16(14-19(17)24-25-21)27-13-11-18(15-6-2-1-3-7-15)23-20-8-4-5-12-22-20;27-19-17-7-6-15(13-18(17)24-25-19)28-16(12-14-4-2-1-3-5-14)8-9-21-20-22-10-11-23-26-20;26-18-15-7-6-14(12-17(15)23-24-18)27-11-8-16(13-4-2-1-3-5-13)22-19-20-9-10-21-25-19/h1-10,12,15,18H,11,13-14H2,(H,23,24)(H2,25,26,27);2-8,12-14,17,22H,9-11H2,1H3,(H2,24,25,27);1-10,12,14,18H,11,13H2,(H,22,23)(H2,24,25,26);1-7,10-11,13,16H,8-9,12H2,(H,21,22,26)(H2,24,25,27);1-7,9-10,12,16H,8,11H2,(H,20,22,25)(H2,23,24,26)
InChIKeyKTCUXZJMINPZRO-UHFFFAOYSA-N
MW1851.12 g/mol
LogP15.90
Rot. Bonds38

About 6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one

6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one (PubChem CID 159232875) has the molecular formula C103H103N25O10 and a molecular weight of 1851.12 g/mol. Its IUPAC name is 6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one
PubChem CID159232875
Molecular FormulaC103H103N25O10
Molecular Weight1851.12 g/mol
Exact Mass1849.83
IUPAC Name6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one
SMILESCn1cnc(NCCC(Cc2ccccc2)Oc2ccc3c(=O)[nH][nH]c3c2)c1.O=c1[nH][nH]c2cc(OC(CCNc3ccccn3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(OC(CCNc3nccnn3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(OCCC(Nc3ccccn3)c3ccccc3)ccc12.O=c1[nH][nH]c2cc(OCCC(Nc3nccnn3)c3ccccc3)ccc12
InChIInChI=1S/C22H22N4O2.C21H23N5O2.C21H20N4O2.C20H20N6O2.C19H18N6O2/c27-22-19-10-9-17(15-20(19)25-26-22)28-18(14-16-6-2-1-3-7-16)11-13-24-21-8-4-5-12-23-21;1-26-13-20(23-14-26)22-10-9-17(11-15-5-3-2-4-6-15)28-16-7-8-18-19(12-16)24-25-21(18)27;26-21-17-10-9-16(14-19(17)24-25-21)27-13-11-18(15-6-2-1-3-7-15)23-20-8-4-5-12-22-20;27-19-17-7-6-15(13-18(17)24-25-19)28-16(12-14-4-2-1-3-5-14)8-9-21-20-22-10-11-23-26-20;26-18-15-7-6-14(12-17(15)23-24-18)27-11-8-16(13-4-2-1-3-5-13)22-19-20-9-10-21-25-19/h1-10,12,15,18H,11,13-14H2,(H,23,24)(H2,25,26,27);2-8,12-14,17,22H,9-11H2,1H3,(H2,24,25,27);1-10,12,14,18H,11,13H2,(H,22,23)(H2,24,25,26);1-7,10-11,13,16H,8-9,12H2,(H,21,22,26)(H2,24,25,27);1-7,9-10,12,16H,8,11H2,(H,20,22,25)(H2,23,24,26)
InChIKeyKTCUXZJMINPZRO-UHFFFAOYSA-N
XLogP15.90
TPSA470.49 Ų
H-Bond Donors15
H-Bond Acceptors25
Rotatable Bonds38
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001851.12
LogP ≤ 515.90
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1025

Analyze 6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[2-benzyl-4-[(1-methylimidazol-4-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[2-benzyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]butyl]-1,2-dihydroindazol-3-one;6-[4-[(1-methylimidazol-4-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-phenylbutyl]-1,2-dihydroindazol-3-one;6-[4-phenyl-4-(pyridin-2-ylamino)butyl]-1,2-dihydroindazol-3-one
CID 158250558
3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide
CID 58936040
6-[3-(1,2,4-triazin-3-ylamino)propylamino]-1,2-dihydroindazol-3-one
CID 58936066
N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine
CID 54373068
methane;(3S)-3-phenyl-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid
CID 158690897
3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid
CID 22570254
3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]-N-pyridin-2-ylpropanamide
CID 58935827
azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid
CID 66819216
3-naphthalen-2-yl-4-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoic acid
CID 142045132
methyl 2-[[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]methyl]octanoate
CID 22570317
4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide
CID 58935896
3-phenyl-3-[5-[3-(pyridin-2-ylamino)butoxy]-1H-indol-3-yl]propanoic acid
CID 10113462

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one (CID 159232875) is 6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one is Cn1cnc(NCCC(Cc2ccccc2)Oc2ccc3c(=O)[nH][nH]c3c2)c1.O=c1[nH][nH]c2cc(OC(CCNc3ccccn3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(OC(CCNc3nccnn3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(OCCC(Nc3ccccn3)c3ccccc3)ccc12.O=c1[nH][nH]c2cc(OCCC(Nc3nccnn3)c3ccccc3)ccc12.
What is the InChIKey of 6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one?
The InChIKey is KTCUXZJMINPZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2.C21H23N5O2.C21H20N4O2.C20H20N6O2.C19H18N6O2/c27-22-19-10-9-17(15-20(19)25-26-22)28-18(14-16-6-2-1-3-7-16)11-13-24-21-8-4-5-12-23-21;1-26-13-20(23-14-26)22-10-9-17(11-15-5-3-2-4-6-15)28-16-7-8-18-19(12-16)24-25-21(18)27;26-21-17-10-9-16(14-19(17)24-25-21)27-13-11-18(15-6-2-1-3-7-15)23-20-8-4-5-12-22-20;27-19-17-7-6-15(13-18(17)24-25-19)28-16(12-14-4-2-1-3-5-14)8-9-21-20-22-10-11-23-26-20;26-18-15-7-6-14(12-17(15)23-24-18)27-11-8-16(13-4-2-1-3-5-13)22-19-20-9-10-21-25-19/h1-10,12,15,18H,11,13-14H2,(H,23,24)(H2,25,26,27);2-8,12-14,17,22H,9-11H2,1H3,(H2,24,25,27);1-10,12,14,18H,11,13H2,(H,22,23)(H2,24,25,26);1-7,10-11,13,16H,8-9,12H2,(H,21,22,26)(H2,24,25,27);1-7,9-10,12,16H,8,11H2,(H,20,22,25)(H2,23,24,26).
What are the key properties of 6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one?
6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one has a molecular weight of 1851.12 g/mol, XLogP of 15.90, 38 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1-methylimidazol-4-yl)amino]-1-phenylbutan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(pyridin-2-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(pyridin-2-ylamino)propoxy]-1,2-dihydroindazol-3-one;6-[1-phenyl-4-(1,2,4-triazin-3-ylamino)butan-2-yl]oxy-1,2-dihydroindazol-3-one;6-[3-phenyl-3-(1,2,4-triazin-3-ylamino)propoxy]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159232875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).