ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole

C62H52N14O — CID 144667696

IUPACethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
SMILESCC.O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1)c1ccccc1.c1cc(-c2ccncc2)c2nc(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)cc34)[nH]c2c1
InChIInChI=1S/C31H21N7O.C29H25N7.C2H6/c39-31(20-5-2-1-3-6-20)34-23-15-22(17-33-18-23)21-9-10-26-25(16-21)29(38-37-26)30-35-27-8-4-7-24(28(27)36-30)19-11-13-32-14-12-19;1-2-13-36(12-1)18-19-14-22(17-31-16-19)21-6-7-25-24(15-21)28(35-34-25)29-32-26-5-3-4-23(27(26)33-29)20-8-10-30-11-9-20;1-2/h1-18H,(H,34,39)(H,35,36)(H,37,38);3-11,14-17H,1-2,12-13,18H2,(H,32,33)(H,34,35);1-2H3
InChIKeyRHBARUVXNGOXBT-UHFFFAOYSA-N
MW1009.20 g/mol
LogP13.33
Rot. Bonds10

About ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole

ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole (PubChem CID 144667696) has the molecular formula C62H52N14O and a molecular weight of 1009.20 g/mol. Its IUPAC name is ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole.

Molecular Properties

Compound Nameethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
PubChem CID144667696
Molecular FormulaC62H52N14O
Molecular Weight1009.20 g/mol
Exact Mass1008.44
IUPAC Nameethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
SMILESCC.O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1)c1ccccc1.c1cc(-c2ccncc2)c2nc(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)cc34)[nH]c2c1
InChIInChI=1S/C31H21N7O.C29H25N7.C2H6/c39-31(20-5-2-1-3-6-20)34-23-15-22(17-33-18-23)21-9-10-26-25(16-21)29(38-37-26)30-35-27-8-4-7-24(28(27)36-30)19-11-13-32-14-12-19;1-2-13-36(12-1)18-19-14-22(17-31-16-19)21-6-7-25-24(15-21)28(35-34-25)29-32-26-5-3-4-23(27(26)33-29)20-8-10-30-11-9-20;1-2/h1-18H,(H,34,39)(H,35,36)(H,37,38);3-11,14-17H,1-2,12-13,18H2,(H,32,33)(H,34,35);1-2H3
InChIKeyRHBARUVXNGOXBT-UHFFFAOYSA-N
XLogP13.33
TPSA198.62 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.20
LogP ≤ 513.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole with MolForge

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Related Compounds

4-methyl-N-[4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71455406
N-(2-amino-5-pyrimidinyl)-5-[5-(1-piperidinylmethyl)-3-pyridinyl]-1H-Indazole-3-carboxamide
CID 89444844
3-methyl-N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136273211
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[6-[(4-pyridin-2-ylphenyl)methylamino]-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide
CID 136176136
3-[[4-amino-3-(2-amino-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 58008606
N-[6-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-benzimidazol-2-yl]acetamide
CID 58008608
2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 135985991
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 135987311
3-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 135987322
2,2-dimethyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 135987329
N-[5-[3-[7-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136214338
N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136214343

Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole?
The IUPAC name of ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole (CID 144667696) is ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole.
What is the SMILES notation for ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole?
The canonical SMILES for ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole is CC.O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1)c1ccccc1.c1cc(-c2ccncc2)c2nc(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)cc34)[nH]c2c1.
What is the InChIKey of ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole?
The InChIKey is RHBARUVXNGOXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N7O.C29H25N7.C2H6/c39-31(20-5-2-1-3-6-20)34-23-15-22(17-33-18-23)21-9-10-26-25(16-21)29(38-37-26)30-35-27-8-4-7-24(28(27)36-30)19-11-13-32-14-12-19;1-2-13-36(12-1)18-19-14-22(17-31-16-19)21-6-7-25-24(15-21)28(35-34-25)29-32-26-5-3-4-23(27(26)33-29)20-8-10-30-11-9-20;1-2/h1-18H,(H,34,39)(H,35,36)(H,37,38);3-11,14-17H,1-2,12-13,18H2,(H,32,33)(H,34,35);1-2H3.
What are the key properties of ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole?
ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole has a molecular weight of 1009.20 g/mol, XLogP of 13.33, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 144667696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).