7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine

C245H319N47 — CID 157368598

IUPAC7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine
SMILESC1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1nc(C2CCCc3ccccc32)c2ccnc(N)c21.Cn1nc(C2CCCc3ccccc32)c2ccnc(N)c21.Cn1nc(C2CCCc3ccccc32)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Nc1nccc2c(C3CCc4ccccc4C3)nn(-c3ccccc3)c12.c1ccc2[nH]ncc2c1.c1ccncc1.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cncnc1
InChIInChI=1S/C22H20N4.8C17H18N4.C9H8.2C8H7N.2C7H6N2.C5H5N.C4H4N2.C3H4N2.18C2H6/c23-22-21-19(12-13-24-22)20(25-26(21)18-8-2-1-3-9-18)17-11-10-15-6-4-5-7-16(15)14-17;3*1-21-16-14(9-10-19-17(16)18)15(20-21)13-8-4-6-11-5-2-3-7-12(11)13;5*1-21-16-14(8-9-19-17(16)18)15(20-21)13-7-6-11-4-2-3-5-12(11)10-13;1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;18*1-2/h1-9,12-13,17H,10-11,14H2,(H2,23,24);3*2-3,5,7,9-10,13H,4,6,8H2,1H3,(H2,18,19);5*2-5,8-9,13H,6-7,10H2,1H3,(H2,18,19);1-6H,7H2;2*1-4,6H,5H2;2*1-5H,(H,8,9);1-5H;1-4H;1-3H,(H,4,5);18*1-2H3
InChIKeyBJMFGQDTHXEIOT-UHFFFAOYSA-N
MW3922.58 g/mol
LogP56.86
Rot. Bonds10

About 7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine

7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 157368598) has the molecular formula C245H319N47 and a molecular weight of 3922.58 g/mol. Its IUPAC name is 7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine
PubChem CID157368598
Molecular FormulaC245H319N47
Molecular Weight3922.58 g/mol
Exact Mass3919.64
IUPAC Name7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine
SMILESC1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1nc(C2CCCc3ccccc32)c2ccnc(N)c21.Cn1nc(C2CCCc3ccccc32)c2ccnc(N)c21.Cn1nc(C2CCCc3ccccc32)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Nc1nccc2c(C3CCc4ccccc4C3)nn(-c3ccccc3)c12.c1ccc2[nH]ncc2c1.c1ccncc1.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cncnc1
InChIInChI=1S/C22H20N4.8C17H18N4.C9H8.2C8H7N.2C7H6N2.C5H5N.C4H4N2.C3H4N2.18C2H6/c23-22-21-19(12-13-24-22)20(25-26(21)18-8-2-1-3-9-18)17-11-10-15-6-4-5-7-16(15)14-17;3*1-21-16-14(9-10-19-17(16)18)15(20-21)13-8-4-6-11-5-2-3-7-12(11)13;5*1-21-16-14(8-9-19-17(16)18)15(20-21)13-7-6-11-4-2-3-5-12(11)10-13;1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;18*1-2/h1-9,12-13,17H,10-11,14H2,(H2,23,24);3*2-3,5,7,9-10,13H,4,6,8H2,1H3,(H2,18,19);5*2-5,8-9,13H,6-7,10H2,1H3,(H2,18,19);1-6H,7H2;2*1-4,6H,5H2;2*1-5H,(H,8,9);1-5H;1-4H;1-3H,(H,4,5);18*1-2H3
InChIKeyBJMFGQDTHXEIOT-UHFFFAOYSA-N
XLogP56.86
TPSA660.53 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds10
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003922.58
LogP ≤ 556.86
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Analyze 7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-[2,6-difluoro-4-[(1S,4S)-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837401
2-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)aniline
CID 49836646
3-(1H-indazol-4-yl)-7-(3-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836856
7-[4-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837197
3-(1h-Indazol-4-yl)-7-(4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 52949635
N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137032983
6-(1H-indazol-6-yl)-N-[4-[(1R,4R)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 168276067
N-[[5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137019305
5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137038491
1-cyclopentyl-N-[[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137038699

Frequently Asked Questions

What is the IUPAC name of 7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine (CID 157368598) is 7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine is C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1nc(C2CCCc3ccccc32)c2ccnc(N)c21.Cn1nc(C2CCCc3ccccc32)c2ccnc(N)c21.Cn1nc(C2CCCc3ccccc32)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2CCc3ccccc3C2)c2ccnc(N)c21.Nc1nccc2c(C3CCc4ccccc4C3)nn(-c3ccccc3)c12.c1ccc2[nH]ncc2c1.c1ccncc1.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cncnc1.
What is the InChIKey of 7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BJMFGQDTHXEIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4.8C17H18N4.C9H8.2C8H7N.2C7H6N2.C5H5N.C4H4N2.C3H4N2.18C2H6/c23-22-21-19(12-13-24-22)20(25-26(21)18-8-2-1-3-9-18)17-11-10-15-6-4-5-7-16(15)14-17;3*1-21-16-14(9-10-19-17(16)18)15(20-21)13-8-4-6-11-5-2-3-7-12(11)13;5*1-21-16-14(8-9-19-17(16)18)15(20-21)13-7-6-11-4-2-3-5-12(11)10-13;1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;18*1-2/h1-9,12-13,17H,10-11,14H2,(H2,23,24);3*2-3,5,7,9-10,13H,4,6,8H2,1H3,(H2,18,19);5*2-5,8-9,13H,6-7,10H2,1H3,(H2,18,19);1-6H,7H2;2*1-4,6H,5H2;2*1-5H,(H,8,9);1-5H;1-4H;1-3H,(H,4,5);18*1-2H3.
What are the key properties of 7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine?
7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 3922.58 g/mol, XLogP of 56.86, 10 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-cyclopenta[b]pyridine;ethane;1H-indazole;1H-indene;3H-indole;tris(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);pentakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157368598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).