2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline

C76H48N12OS — CID 159638714

IUPAC2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline
SMILESc1ccc2c(c1)ccc1cc(-c3nc4ccccc4o3)nn12.c1ccc2c(c1)ccc1cc(-c3nc4ccccc4s3)nn12.c1ccc2ncc(-c3cc4ccc5ccccc5n4n3)cc2c1.c1cnc2cc(-c3cc4ccc5ccccc5n4n3)ccc2c1
InChIInChI=1S/2C20H13N3.C18H11N3O.C18H11N3S/c1-3-7-18-15(6-1)11-16(13-21-18)19-12-17-10-9-14-5-2-4-8-20(14)23(17)22-19;1-2-6-20-15(4-1)9-10-17-13-19(22-23(17)20)16-8-7-14-5-3-11-21-18(14)12-16;2*1-3-7-16-12(5-1)9-10-13-11-15(20-21(13)16)18-19-14-6-2-4-8-17(14)22-18/h2*1-13H;2*1-11H
InChIKeyMQBNPTIUSYUJCL-UHFFFAOYSA-N
MW1177.37 g/mol
LogP18.47
Rot. Bonds4

About 2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline

2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline (PubChem CID 159638714) has the molecular formula C76H48N12OS and a molecular weight of 1177.37 g/mol. Its IUPAC name is 2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline
PubChem CID159638714
Molecular FormulaC76H48N12OS
Molecular Weight1177.37 g/mol
Exact Mass1176.38
IUPAC Name2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline
SMILESc1ccc2c(c1)ccc1cc(-c3nc4ccccc4o3)nn12.c1ccc2c(c1)ccc1cc(-c3nc4ccccc4s3)nn12.c1ccc2ncc(-c3cc4ccc5ccccc5n4n3)cc2c1.c1cnc2cc(-c3cc4ccc5ccccc5n4n3)ccc2c1
InChIInChI=1S/2C20H13N3.C18H11N3O.C18H11N3S/c1-3-7-18-15(6-1)11-16(13-21-18)19-12-17-10-9-14-5-2-4-8-20(14)23(17)22-19;1-2-6-20-15(4-1)9-10-17-13-19(22-23(17)20)16-8-7-14-5-3-11-21-18(14)12-16;2*1-3-7-16-12(5-1)9-10-13-11-15(20-21(13)16)18-19-14-6-2-4-8-17(14)22-18/h2*1-13H;2*1-11H
InChIKeyMQBNPTIUSYUJCL-UHFFFAOYSA-N
XLogP18.47
TPSA133.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001177.37
LogP ≤ 518.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline 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

CID 159386640
CID 159386640
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;hexakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenyl-1,3-benzothiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 160363464
3-(4,5-Dimethyl-1,2-thiazol-3-yl)-2,2,5,5-tetrafluorocyclopent-3-en-1-one;pentakis(iridium);1-methyl-3-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)indazole;5-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-1,3-thiazole;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-1,3-benzothiazole;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-1,3-benzoxazole
CID 161661978
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 162126941
7-[2-[5-[5-(1,3-Benzothiazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-7-yl]-2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole
CID 123482435
2-[3-(1,2,3-Benzothiadiazol-4-yl)-4-(1,3-benzothiazol-2-yl)-6-pyrazin-2-yl-1-quinolin-2-ylisoquinolin-5-yl]-1,3-benzoxazole
CID 141091610
2-[3-(1,2,3-benzothiadiazol-4-yl)-4-(1H-indazol-3-yl)-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-8-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinolin-7-yl]-1,3-benzoxazole
CID 141338342
2-[4-(1,3-Benzothiazol-2-yl)-6-pyrazin-2-yl-7-pyridin-2-yl-5-pyrimidin-2-ylcinnolin-3-yl]-1,3-benzoxazole
CID 141382634
2,5-Dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylindazole
CID 144271836
2-[5-[3-[5-(1,3-Benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzoxazole
CID 144435560
2-isoquinolin-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;2-(1-methylbenzimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;hexakis(platinum(2+));2-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;2-[11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole
CID 157058840
12-[3-(9,9-Diphenylfluoren-2-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;12-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;12-[3-(1,5-naphthyridin-2-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-[4-[3-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[3-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole;11-phenyl-12-(3-quinolin-6-ylphenyl)indolo[2,3-i]phenanthridine
CID 157098270

Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline?
The IUPAC name of 2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline (CID 159638714) is 2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline.
What is the SMILES notation for 2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline?
The canonical SMILES for 2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline is c1ccc2c(c1)ccc1cc(-c3nc4ccccc4o3)nn12.c1ccc2c(c1)ccc1cc(-c3nc4ccccc4s3)nn12.c1ccc2ncc(-c3cc4ccc5ccccc5n4n3)cc2c1.c1cnc2cc(-c3cc4ccc5ccccc5n4n3)ccc2c1.
What is the InChIKey of 2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline?
The InChIKey is MQBNPTIUSYUJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H13N3.C18H11N3O.C18H11N3S/c1-3-7-18-15(6-1)11-16(13-21-18)19-12-17-10-9-14-5-2-4-8-20(14)23(17)22-19;1-2-6-20-15(4-1)9-10-17-13-19(22-23(17)20)16-8-7-14-5-3-11-21-18(14)12-16;2*1-3-7-16-12(5-1)9-10-13-11-15(20-21(13)16)18-19-14-6-2-4-8-17(14)22-18/h2*1-13H;2*1-11H.
What are the key properties of 2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline?
2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline has a molecular weight of 1177.37 g/mol, XLogP of 18.47, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline;2-quinolin-7-ylpyrazolo[1,5-a]quinoline is sourced from PubChem (CID 159638714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).