7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide

C76H63N26O4S2+5 — CID 158553556

IUPAC7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide
SMILESNc1cc(Oc2ccc3[nH]ccc3c2)[n+]2[nH]ccc2n1.O=C(Cc1cnc(Nc2ccnc3cc[nH][n+]23)s1)Nc1ccccc1.O=C(Nc1ncc(Nc2ccnc3cc[nH][n+]23)cn1)c1ccccc1.c1cc(Oc2ccc3[nH]ccc3c2)[n+]2[nH]ccc2n1.c1cc(Sc2ccc3[nH]ccc3c2)[n+]2[nH]ccc2n1
InChIInChI=1S/C17H13N7O.C17H14N6OS.C14H11N5O.C14H10N4O.C14H10N4S/c25-16(12-4-2-1-3-5-12)23-17-19-10-13(11-20-17)22-15-6-8-18-14-7-9-21-24(14)15;24-16(21-12-4-2-1-3-5-12)10-13-11-19-17(25-13)22-15-6-8-18-14-7-9-20-23(14)15;15-12-8-14(19-13(18-12)4-6-17-19)20-10-1-2-11-9(7-10)3-5-16-11;2*1-2-12-10(3-6-15-12)9-11(1)19-14-5-7-16-13-4-8-17-18(13)14/h1-11H,(H2,18,19,20,21,22,23,25);1-9,11H,10H2,(H2,18,19,20,21,22,24);1-8,16H,(H2,15,17,18);2*1-9,15H/p+5
InChIKeyYHKMYFOJAWUICG-UHFFFAOYSA-S
MW1468.65 g/mol
LogP11.67
Rot. Bonds15

About 7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide

7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide (PubChem CID 158553556) has the molecular formula C76H63N26O4S2+5 and a molecular weight of 1468.65 g/mol. Its IUPAC name is 7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide
PubChem CID158553556
Molecular FormulaC76H63N26O4S2+5
Molecular Weight1468.65 g/mol
Exact Mass1467.49
IUPAC Name7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide
SMILESNc1cc(Oc2ccc3[nH]ccc3c2)[n+]2[nH]ccc2n1.O=C(Cc1cnc(Nc2ccnc3cc[nH][n+]23)s1)Nc1ccccc1.O=C(Nc1ncc(Nc2ccnc3cc[nH][n+]23)cn1)c1ccccc1.c1cc(Oc2ccc3[nH]ccc3c2)[n+]2[nH]ccc2n1.c1cc(Sc2ccc3[nH]ccc3c2)[n+]2[nH]ccc2n1
InChIInChI=1S/C17H13N7O.C17H14N6OS.C14H11N5O.C14H10N4O.C14H10N4S/c25-16(12-4-2-1-3-5-12)23-17-19-10-13(11-20-17)22-15-6-8-18-14-7-9-21-24(14)15;24-16(21-12-4-2-1-3-5-12)10-13-11-19-17(25-13)22-15-6-8-18-14-7-9-20-23(14)15;15-12-8-14(19-13(18-12)4-6-17-19)20-10-1-2-11-9(7-10)3-5-16-11;2*1-2-12-10(3-6-15-12)9-11(1)19-14-5-7-16-13-4-8-17-18(13)14/h1-11H,(H2,18,19,20,21,22,23,25);1-9,11H,10H2,(H2,18,19,20,21,22,24);1-8,16H,(H2,15,17,18);2*1-9,15H/p+5
InChIKeyYHKMYFOJAWUICG-UHFFFAOYSA-S
XLogP11.67
TPSA376.68 Ų
H-Bond Donors13
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001468.65
LogP ≤ 511.67
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide with MolForge

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Related Compounds

2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 158130528
2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 162143377
1-benzofuran;1-benzothiophene;furo[2,3-b]pyridine;furo[2,3-c]pyridazine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;bis(imidazo[1,2-a]pyrazine);imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine
CID 157053356
7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium
CID 157310364
benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole
CID 157346766
3,6-dimethyl-5H-cyclopenta[b]pyridine;2,5-dimethylfuro[2,3-b]pyridine;2,6-dimethylfuro[3,2-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,5-dimethylpyrazolo[3,4-b]pyridine;2,6-dimethylpyrazolo[4,3-b]pyridine;2,5-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,5-dimethyl-3H-pyrrolo[2,3-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[5,4-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,6-dimethylthieno[3,2-b]pyridine;2,6-dimethyltriazolo[4,5-b]pyridine
CID 157614101
3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one;1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one;1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one;3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]-7aH-imidazo[4,5-b]pyridin-3-ium;5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
CID 157685397
CID 158905655
CID 158905655
benzene;furo[2,3-b]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1-methylindazole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;1-phenylindazole;4-phenyl-1,3-thiazole;pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-c]pyridine;1,3,5-triazine
CID 159252866
4-[[3-[1-(1-methylpiperidine-4-carbonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-methylpiperidine-4-carboxylic acid;N-(5-methyl-1,3-thiazol-2-yl)-4-[(3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzamide
CID 159471161
1-benzofuran;1-benzothiophene;furo[2,3-b]pyridine;furo[2,3-c]pyridazine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-c]pyrimidine;1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine
CID 159545337
(3R)-3-[[4-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenoxy]-1H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-ethylpiperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]benzamide;nitrosoethane;dihydrochloride
CID 159791391

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide?
The IUPAC name of 7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide (CID 158553556) is 7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide.
What is the SMILES notation for 7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide?
The canonical SMILES for 7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide is Nc1cc(Oc2ccc3[nH]ccc3c2)[n+]2[nH]ccc2n1.O=C(Cc1cnc(Nc2ccnc3cc[nH][n+]23)s1)Nc1ccccc1.O=C(Nc1ncc(Nc2ccnc3cc[nH][n+]23)cn1)c1ccccc1.c1cc(Oc2ccc3[nH]ccc3c2)[n+]2[nH]ccc2n1.c1cc(Sc2ccc3[nH]ccc3c2)[n+]2[nH]ccc2n1.
What is the InChIKey of 7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide?
The InChIKey is YHKMYFOJAWUICG-UHFFFAOYSA-S. The full InChI is InChI=1S/C17H13N7O.C17H14N6OS.C14H11N5O.C14H10N4O.C14H10N4S/c25-16(12-4-2-1-3-5-12)23-17-19-10-13(11-20-17)22-15-6-8-18-14-7-9-21-24(14)15;24-16(21-12-4-2-1-3-5-12)10-13-11-19-17(25-13)22-15-6-8-18-14-7-9-20-23(14)15;15-12-8-14(19-13(18-12)4-6-17-19)20-10-1-2-11-9(7-10)3-5-16-11;2*1-2-12-10(3-6-15-12)9-11(1)19-14-5-7-16-13-4-8-17-18(13)14/h1-11H,(H2,18,19,20,21,22,23,25);1-9,11H,10H2,(H2,18,19,20,21,22,24);1-8,16H,(H2,15,17,18);2*1-9,15H/p+5.
What are the key properties of 7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide?
7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide has a molecular weight of 1468.65 g/mol, XLogP of 11.67, 15 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;7-(1H-indol-5-yloxy)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-amine;7-(1H-indol-5-ylsulfanyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium;N-phenyl-2-[2-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)-1,3-thiazol-5-yl]acetamide;N-[5-(1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-ylamino)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 158553556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).