ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole

C79H103N15 — CID 158236950

IUPACethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole
SMILESC1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.Cc1nn(C2CCc3ccccc3C2)c2ccnc(N)c12.Cc1nn(C2CCc3ccccc3C2)c2ccnc(N)c12.Nc1nccc2c1c(-c1ccccc1)nn2C1CCc2ccccc2C1.c1cn[nH]c1
InChIInChI=1S/C22H20N4.2C17H18N4.C8H7N.C3H4N2.6C2H6/c23-22-20-19(12-13-24-22)26(25-21(20)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)14-18;2*1-11-16-15(8-9-19-17(16)18)21(20-11)14-7-6-12-4-2-3-5-13(12)10-14;1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1;6*1-2/h1-9,12-13,18H,10-11,14H2,(H2,23,24);2*2-5,8-9,14H,6-7,10H2,1H3,(H2,18,19);1-4,6H,5H2;1-3H,(H,4,5);6*1-2H3
InChIKeyGFBQCXIQWAEVJU-UHFFFAOYSA-N
MW1262.80 g/mol
LogP19.03
Rot. Bonds4

About ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole

ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole (PubChem CID 158236950) has the molecular formula C79H103N15 and a molecular weight of 1262.80 g/mol. Its IUPAC name is ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole.

Molecular Properties

Compound Nameethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole
PubChem CID158236950
Molecular FormulaC79H103N15
Molecular Weight1262.80 g/mol
Exact Mass1261.85
IUPAC Nameethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole
SMILESC1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.Cc1nn(C2CCc3ccccc3C2)c2ccnc(N)c12.Cc1nn(C2CCc3ccccc3C2)c2ccnc(N)c12.Nc1nccc2c1c(-c1ccccc1)nn2C1CCc2ccccc2C1.c1cn[nH]c1
InChIInChI=1S/C22H20N4.2C17H18N4.C8H7N.C3H4N2.6C2H6/c23-22-20-19(12-13-24-22)26(25-21(20)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)14-18;2*1-11-16-15(8-9-19-17(16)18)21(20-11)14-7-6-12-4-2-3-5-13(12)10-14;1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1;6*1-2/h1-9,12-13,18H,10-11,14H2,(H2,23,24);2*2-5,8-9,14H,6-7,10H2,1H3,(H2,18,19);1-4,6H,5H2;1-3H,(H,4,5);6*1-2H3
InChIKeyGFBQCXIQWAEVJU-UHFFFAOYSA-N
XLogP19.03
TPSA211.23 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001262.80
LogP ≤ 519.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole with MolForge

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
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
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
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-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-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 49836857
3-(7-fluoro-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-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
7-[4-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837300

Frequently Asked Questions

What is the IUPAC name of ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole?
The IUPAC name of ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole (CID 158236950) is ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole.
What is the SMILES notation for ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole?
The canonical SMILES for ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole is C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.Cc1nn(C2CCc3ccccc3C2)c2ccnc(N)c12.Cc1nn(C2CCc3ccccc3C2)c2ccnc(N)c12.Nc1nccc2c1c(-c1ccccc1)nn2C1CCc2ccccc2C1.c1cn[nH]c1.
What is the InChIKey of ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole?
The InChIKey is GFBQCXIQWAEVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4.2C17H18N4.C8H7N.C3H4N2.6C2H6/c23-22-20-19(12-13-24-22)26(25-21(20)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)14-18;2*1-11-16-15(8-9-19-17(16)18)21(20-11)14-7-6-12-4-2-3-5-13(12)10-14;1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1;6*1-2/h1-9,12-13,18H,10-11,14H2,(H2,23,24);2*2-5,8-9,14H,6-7,10H2,1H3,(H2,18,19);1-4,6H,5H2;1-3H,(H,4,5);6*1-2H3.
What are the key properties of ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole?
ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole has a molecular weight of 1262.80 g/mol, XLogP of 19.03, 4 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3H-indole;bis(3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,5-c]pyridin-4-amine);3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[4,3-c]pyridin-4-amine;1H-pyrazole is sourced from PubChem (CID 158236950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).