6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one

C98H80N36O8S5 — CID 158509554

IUPAC6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
SMILESCOc1cccc2c(Nc3cc(C)[nH]n3)nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc12.COc1cccc2c(Nc3cc(C4CC4)[nH]n3)nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc12.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3c(O)cccc23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3cc(N)ccc23)n[nH]1.O=c1[nH][nH]c2cc(Sc3nc(Nc4ccn[nH]4)c4ccccc4n3)ccc12
InChIInChI=1S/C22H19N7O2S.C20H17N7O2S.C19H16N8OS.C19H15N7O2S.C18H13N7OS/c1-31-17-4-2-3-14-19(17)24-22(32-12-7-8-13-16(9-12)27-29-21(13)30)25-20(14)23-18-10-15(26-28-18)11-5-6-11;1-10-8-16(26-24-10)21-18-13-4-3-5-15(29-2)17(13)22-20(23-18)30-11-6-7-12-14(9-11)25-27-19(12)28;1-9-6-16(26-24-9)22-17-12-4-2-10(20)7-14(12)21-19(23-17)29-11-3-5-13-15(8-11)25-27-18(13)28;1-9-7-15(25-23-9)20-17-12-3-2-4-14(27)16(12)21-19(22-17)29-10-5-6-11-13(8-10)24-26-18(11)28;26-17-12-6-5-10(9-14(12)23-25-17)27-18-20-13-4-2-1-3-11(13)16(22-18)21-15-7-8-19-24-15/h2-4,7-11H,5-6H2,1H3,(H2,27,29,30)(H2,23,24,25,26,28);3-9H,1-2H3,(H2,25,27,28)(H2,21,22,23,24,26);2-8H,20H2,1H3,(H2,25,27,28)(H2,21,22,23,24,26);2-8,27H,1H3,(H2,24,26,28)(H2,20,21,22,23,25);1-9H,(H2,23,25,26)(H2,19,20,21,22,24)
InChIKeyHKWOIOPIQKABHH-UHFFFAOYSA-N
MW2050.30 g/mol
LogP18.19
Rot. Bonds23

About 6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one

6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one (PubChem CID 158509554) has the molecular formula C98H80N36O8S5 and a molecular weight of 2050.30 g/mol. Its IUPAC name is 6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
PubChem CID158509554
Molecular FormulaC98H80N36O8S5
Molecular Weight2050.30 g/mol
Exact Mass2048.56
IUPAC Name6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
SMILESCOc1cccc2c(Nc3cc(C)[nH]n3)nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc12.COc1cccc2c(Nc3cc(C4CC4)[nH]n3)nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc12.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3c(O)cccc23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3cc(N)ccc23)n[nH]1.O=c1[nH][nH]c2cc(Sc3nc(Nc4ccn[nH]4)c4ccccc4n3)ccc12
InChIInChI=1S/C22H19N7O2S.C20H17N7O2S.C19H16N8OS.C19H15N7O2S.C18H13N7OS/c1-31-17-4-2-3-14-19(17)24-22(32-12-7-8-13-16(9-12)27-29-21(13)30)25-20(14)23-18-10-15(26-28-18)11-5-6-11;1-10-8-16(26-24-10)21-18-13-4-3-5-15(29-2)17(13)22-20(23-18)30-11-6-7-12-14(9-11)25-27-19(12)28;1-9-6-16(26-24-9)22-17-12-4-2-10(20)7-14(12)21-19(23-17)29-11-3-5-13-15(8-11)25-27-18(13)28;1-9-7-15(25-23-9)20-17-12-3-2-4-14(27)16(12)21-19(22-17)29-10-5-6-11-13(8-10)24-26-18(11)28;26-17-12-6-5-10(9-14(12)23-25-17)27-18-20-13-4-2-1-3-11(13)16(22-18)21-15-7-8-19-24-15/h2-4,7-11H,5-6H2,1H3,(H2,27,29,30)(H2,23,24,25,26,28);3-9H,1-2H3,(H2,25,27,28)(H2,21,22,23,24,26);2-8H,20H2,1H3,(H2,25,27,28)(H2,21,22,23,24,26);2-8,27H,1H3,(H2,24,26,28)(H2,20,21,22,23,25);1-9H,(H2,23,25,26)(H2,19,20,21,22,24)
InChIKeyHKWOIOPIQKABHH-UHFFFAOYSA-N
XLogP18.19
TPSA640.41 Ų
H-Bond Donors22
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002050.30
LogP ≤ 518.19
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-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-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
CID 159487462
6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-fluoroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[7-[3-(dimethylamino)propoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-[3-(dimethylamino)propoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
CID 159821532

Frequently Asked Questions

What is the IUPAC name of 6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one (CID 158509554) is 6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one is COc1cccc2c(Nc3cc(C)[nH]n3)nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc12.COc1cccc2c(Nc3cc(C4CC4)[nH]n3)nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc12.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3c(O)cccc23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3cc(N)ccc23)n[nH]1.O=c1[nH][nH]c2cc(Sc3nc(Nc4ccn[nH]4)c4ccccc4n3)ccc12.
What is the InChIKey of 6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?
The InChIKey is HKWOIOPIQKABHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2S.C20H17N7O2S.C19H16N8OS.C19H15N7O2S.C18H13N7OS/c1-31-17-4-2-3-14-19(17)24-22(32-12-7-8-13-16(9-12)27-29-21(13)30)25-20(14)23-18-10-15(26-28-18)11-5-6-11;1-10-8-16(26-24-10)21-18-13-4-3-5-15(29-2)17(13)22-20(23-18)30-11-6-7-12-14(9-11)25-27-19(12)28;1-9-6-16(26-24-9)22-17-12-4-2-10(20)7-14(12)21-19(23-17)29-11-3-5-13-15(8-11)25-27-18(13)28;1-9-7-15(25-23-9)20-17-12-3-2-4-14(27)16(12)21-19(22-17)29-10-5-6-11-13(8-10)24-26-18(11)28;26-17-12-6-5-10(9-14(12)23-25-17)27-18-20-13-4-2-1-3-11(13)16(22-18)21-15-7-8-19-24-15/h2-4,7-11H,5-6H2,1H3,(H2,27,29,30)(H2,23,24,25,26,28);3-9H,1-2H3,(H2,25,27,28)(H2,21,22,23,24,26);2-8H,20H2,1H3,(H2,25,27,28)(H2,21,22,23,24,26);2-8,27H,1H3,(H2,24,26,28)(H2,20,21,22,23,25);1-9H,(H2,23,25,26)(H2,19,20,21,22,24).
What are the key properties of 6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?
6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one has a molecular weight of 2050.30 g/mol, XLogP of 18.19, 23 rotatable bonds, 22 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one is sourced from PubChem (CID 158509554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).