tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine

C137H131N29O14S — CID 161308507

IUPACtris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
SMILESCC(=O)c1c(C)nn(C2=NCc3ccccc32)c1C.CC(=O)c1cc(-n2nc(C)cc2C)ccn1.CC(=O)c1cc(-n2nc(C)cc2C)ccn1.CC(=O)c1cc(-n2nc(C)cc2C)ccn1.CC(=O)c1cn(-c2ccnc3ccccc23)nc1C.Cc1nn(-c2ccnc3[nH]ccc23)cc1-c1ccc2c(ccn2C)c1.Cc1nn(-c2ccnc3c2C=CC3)cc1-c1ccsc1.Cc1nn(-c2ccnc3c2C=CC3)cc1C1CCCC(O)C1.Cc1nn(C2=NCc3ccccc32)c(C)c1C(=O)O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C20H17N5.C18H21N3O.C16H13N3S.C15H15N3O.C15H13N3O.C14H13N3O2.3C12H13N3O.3CO2/c1-13-17(14-3-4-18-15(11-14)7-10-24(18)2)12-25(23-13)19-6-9-22-20-16(19)5-8-21-20;1-12-16(13-4-2-5-14(22)10-13)11-21(20-12)18-8-9-19-17-7-3-6-15(17)18;1-11-14(12-6-8-20-10-12)9-19(18-11)16-5-7-17-15-4-2-3-13(15)16;1-9-14(11(3)19)10(2)18(17-9)15-13-7-5-4-6-12(13)8-16-15;1-10-13(11(2)19)9-18(17-10)15-7-8-16-14-6-4-3-5-12(14)15;1-8-12(14(18)19)9(2)17(16-8)13-11-6-4-3-5-10(11)7-15-13;3*1-8-6-9(2)15(14-8)11-4-5-13-12(7-11)10(3)16;3*2-1-3/h3-12H,1-2H3,(H,21,22);3,6,8-9,11,13-14,22H,2,4-5,7,10H2,1H3;2-3,5-10H,4H2,1H3;4-7H,8H2,1-3H3;3-9H,1-2H3;3-6H,7H2,1-2H3,(H,18,19);3*4-7H,1-3H3;;;
InChIKeyVIORHVRUJYTEFM-UHFFFAOYSA-N
MW2439.81 g/mol
LogP23.21
Rot. Bonds16

About tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine

tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine (PubChem CID 161308507) has the molecular formula C137H131N29O14S and a molecular weight of 2439.81 g/mol. Its IUPAC name is tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Nametris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
PubChem CID161308507
Molecular FormulaC137H131N29O14S
Molecular Weight2439.81 g/mol
Exact Mass2438.02
IUPAC Nametris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
SMILESCC(=O)c1c(C)nn(C2=NCc3ccccc32)c1C.CC(=O)c1cc(-n2nc(C)cc2C)ccn1.CC(=O)c1cc(-n2nc(C)cc2C)ccn1.CC(=O)c1cc(-n2nc(C)cc2C)ccn1.CC(=O)c1cn(-c2ccnc3ccccc23)nc1C.Cc1nn(-c2ccnc3[nH]ccc23)cc1-c1ccc2c(ccn2C)c1.Cc1nn(-c2ccnc3c2C=CC3)cc1-c1ccsc1.Cc1nn(-c2ccnc3c2C=CC3)cc1C1CCCC(O)C1.Cc1nn(C2=NCc3ccccc32)c(C)c1C(=O)O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C20H17N5.C18H21N3O.C16H13N3S.C15H15N3O.C15H13N3O.C14H13N3O2.3C12H13N3O.3CO2/c1-13-17(14-3-4-18-15(11-14)7-10-24(18)2)12-25(23-13)19-6-9-22-20-16(19)5-8-21-20;1-12-16(13-4-2-5-14(22)10-13)11-21(20-12)18-8-9-19-17-7-3-6-15(17)18;1-11-14(12-6-8-20-10-12)9-19(18-11)16-5-7-17-15-4-2-3-13(15)16;1-9-14(11(3)19)10(2)18(17-9)15-13-7-5-4-6-12(13)8-16-15;1-10-13(11(2)19)9-18(17-10)15-7-8-16-14-6-4-3-5-12(14)15;1-8-12(14(18)19)9(2)17(16-8)13-11-6-4-3-5-10(11)7-15-13;3*1-8-6-9(2)15(14-8)11-4-5-13-12(7-11)10(3)16;3*2-1-3/h3-12H,1-2H3,(H,21,22);3,6,8-9,11,13-14,22H,2,4-5,7,10H2,1H3;2-3,5-10H,4H2,1H3;4-7H,8H2,1-3H3;3-9H,1-2H3;3-6H,7H2,1-2H3,(H,18,19);3*4-7H,1-3H3;;;
InChIKeyVIORHVRUJYTEFM-UHFFFAOYSA-N
XLogP23.21
TPSA541.35 Ų
H-Bond Donors3
H-Bond Acceptors42
Rotatable Bonds16
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002439.81
LogP ≤ 523.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1042

Analyze tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine?
The IUPAC name of tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine (CID 161308507) is tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine.
What is the SMILES notation for tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine?
The canonical SMILES for tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine is CC(=O)c1c(C)nn(C2=NCc3ccccc32)c1C.CC(=O)c1cc(-n2nc(C)cc2C)ccn1.CC(=O)c1cc(-n2nc(C)cc2C)ccn1.CC(=O)c1cc(-n2nc(C)cc2C)ccn1.CC(=O)c1cn(-c2ccnc3ccccc23)nc1C.Cc1nn(-c2ccnc3[nH]ccc23)cc1-c1ccc2c(ccn2C)c1.Cc1nn(-c2ccnc3c2C=CC3)cc1-c1ccsc1.Cc1nn(-c2ccnc3c2C=CC3)cc1C1CCCC(O)C1.Cc1nn(C2=NCc3ccccc32)c(C)c1C(=O)O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine?
The InChIKey is VIORHVRUJYTEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5.C18H21N3O.C16H13N3S.C15H15N3O.C15H13N3O.C14H13N3O2.3C12H13N3O.3CO2/c1-13-17(14-3-4-18-15(11-14)7-10-24(18)2)12-25(23-13)19-6-9-22-20-16(19)5-8-21-20;1-12-16(13-4-2-5-14(22)10-13)11-21(20-12)18-8-9-19-17-7-3-6-15(17)18;1-11-14(12-6-8-20-10-12)9-19(18-11)16-5-7-17-15-4-2-3-13(15)16;1-9-14(11(3)19)10(2)18(17-9)15-13-7-5-4-6-12(13)8-16-15;1-10-13(11(2)19)9-18(17-10)15-7-8-16-14-6-4-3-5-12(14)15;1-8-12(14(18)19)9(2)17(16-8)13-11-6-4-3-5-10(11)7-15-13;3*1-8-6-9(2)15(14-8)11-4-5-13-12(7-11)10(3)16;3*2-1-3/h3-12H,1-2H3,(H,21,22);3,6,8-9,11,13-14,22H,2,4-5,7,10H2,1H3;2-3,5-10H,4H2,1H3;4-7H,8H2,1-3H3;3-9H,1-2H3;3-6H,7H2,1-2H3,(H,18,19);3*4-7H,1-3H3;;;.
What are the key properties of tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine?
tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine has a molecular weight of 2439.81 g/mol, XLogP of 23.21, 16 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 161308507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).