5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one

C92H82N24O5S — CID 159740664

IUPAC5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2cc(CSc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(COCc3cc4ccccc4c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Cc3cc4ccccc4c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2ccc(CCc3cc4ccccc4c(Nc4cc(C5CC5)[nH]n4)n3)cc12
InChIInChI=1S/C24H22N6O2.C24H22N6O.C23H20N6O.C21H18N6OS/c31-24-19-8-5-14(9-21(19)28-30-24)12-32-13-17-10-16-3-1-2-4-18(16)23(25-17)26-22-11-20(27-29-22)15-6-7-15;31-24-19-11-14(6-10-20(19)27-30-24)5-9-17-12-16-3-1-2-4-18(16)23(25-17)26-22-13-21(28-29-22)15-7-8-15;30-23-18-8-5-13(10-20(18)27-29-23)9-16-11-15-3-1-2-4-17(15)22(24-16)25-21-12-19(26-28-21)14-6-7-14;1-12-8-20(26-24-12)23-18-9-13(22-17-5-3-2-4-15(17)18)11-29-14-6-7-16-19(10-14)25-27-21(16)28/h1-5,8-11,15H,6-7,12-13H2,(H2,28,30,31)(H2,25,26,27,29);1-4,6,10-13,15H,5,7-9H2,(H2,27,30,31)(H2,25,26,28,29);1-5,8,10-12,14H,6-7,9H2,(H2,27,29,30)(H2,24,25,26,28);2-10H,11H2,1H3,(H2,25,27,28)(H2,22,23,24,26)
InChIKeyNCKKKQANXXUWIN-UHFFFAOYSA-N
MW1635.90 g/mol
LogP17.81
Rot. Bonds23

About 5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one

5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one (PubChem CID 159740664) has the molecular formula C92H82N24O5S and a molecular weight of 1635.90 g/mol. Its IUPAC name is 5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one
PubChem CID159740664
Molecular FormulaC92H82N24O5S
Molecular Weight1635.90 g/mol
Exact Mass1634.66
IUPAC Name5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2cc(CSc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(COCc3cc4ccccc4c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Cc3cc4ccccc4c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2ccc(CCc3cc4ccccc4c(Nc4cc(C5CC5)[nH]n4)n3)cc12
InChIInChI=1S/C24H22N6O2.C24H22N6O.C23H20N6O.C21H18N6OS/c31-24-19-8-5-14(9-21(19)28-30-24)12-32-13-17-10-16-3-1-2-4-18(16)23(25-17)26-22-11-20(27-29-22)15-6-7-15;31-24-19-11-14(6-10-20(19)27-30-24)5-9-17-12-16-3-1-2-4-18(16)23(25-17)26-22-13-21(28-29-22)15-7-8-15;30-23-18-8-5-13(10-20(18)27-29-23)9-16-11-15-3-1-2-4-17(15)22(24-16)25-21-12-19(26-28-21)14-6-7-14;1-12-8-20(26-24-12)23-18-9-13(22-17-5-3-2-4-15(17)18)11-29-14-6-7-16-19(10-14)25-27-21(16)28/h1-5,8-11,15H,6-7,12-13H2,(H2,28,30,31)(H2,25,26,27,29);1-4,6,10-13,15H,5,7-9H2,(H2,27,30,31)(H2,25,26,28,29);1-5,8,10-12,14H,6-7,9H2,(H2,27,29,30)(H2,24,25,26,28);2-10H,11H2,1H3,(H2,25,27,28)(H2,22,23,24,26)
InChIKeyNCKKKQANXXUWIN-UHFFFAOYSA-N
XLogP17.81
TPSA418.23 Ų
H-Bond Donors16
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001635.90
LogP ≤ 517.81
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1018

Analyze 5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one
CID 160525722
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(methoxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 161336751

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one (CID 159740664) is 5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one is Cc1cc(Nc2cc(CSc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(COCc3cc4ccccc4c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Cc3cc4ccccc4c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2ccc(CCc3cc4ccccc4c(Nc4cc(C5CC5)[nH]n4)n3)cc12.
What is the InChIKey of 5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one?
The InChIKey is NCKKKQANXXUWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2.C24H22N6O.C23H20N6O.C21H18N6OS/c31-24-19-8-5-14(9-21(19)28-30-24)12-32-13-17-10-16-3-1-2-4-18(16)23(25-17)26-22-11-20(27-29-22)15-6-7-15;31-24-19-11-14(6-10-20(19)27-30-24)5-9-17-12-16-3-1-2-4-18(16)23(25-17)26-22-13-21(28-29-22)15-7-8-15;30-23-18-8-5-13(10-20(18)27-29-23)9-16-11-15-3-1-2-4-17(15)22(24-16)25-21-12-19(26-28-21)14-6-7-14;1-12-8-20(26-24-12)23-18-9-13(22-17-5-3-2-4-15(17)18)11-29-14-6-7-16-19(10-14)25-27-21(16)28/h1-5,8-11,15H,6-7,12-13H2,(H2,28,30,31)(H2,25,26,27,29);1-4,6,10-13,15H,5,7-9H2,(H2,27,30,31)(H2,25,26,28,29);1-5,8,10-12,14H,6-7,9H2,(H2,27,29,30)(H2,24,25,26,28);2-10H,11H2,1H3,(H2,25,27,28)(H2,22,23,24,26).
What are the key properties of 5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one?
5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one has a molecular weight of 1635.90 g/mol, XLogP of 17.81, 23 rotatable bonds, 16 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159740664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).