2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole

C132H96F5N31O — CID 158813835

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1.Fc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)c1.Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1.Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H23F3N6.C29H23FN6O.C25H17FN6.C24H17N7.C24H16N6/c31-22-4-1-3-20(12-22)23-5-2-6-26-27(23)36-29(35-26)28-24-13-19(7-8-25(24)37-38-28)21-11-18(14-34-15-21)16-39-10-9-30(32,33)17-39;1-16(2)29(37)32-19-12-18(14-31-15-19)17-10-11-24-22(13-17)27(36-35-24)28-33-25-9-5-7-21(26(25)34-28)20-6-3-4-8-23(20)30;26-20-6-2-1-4-17(20)18-5-3-7-22-23(18)30-25(29-22)24-19-11-14(8-9-21(19)31-32-24)15-10-16(27)13-28-12-15;25-17-9-16(12-27-13-17)14-6-7-20-19(10-14)23(31-30-20)24-28-21-5-1-4-18(22(21)29-24)15-3-2-8-26-11-15;1-6-18(17-5-3-11-26-14-17)22-21(7-1)27-24(28-22)23-19-12-15(8-9-20(19)29-30-23)16-4-2-10-25-13-16/h1-8,11-15H,9-10,16-17H2,(H,35,36)(H,37,38);3-16H,1-2H3,(H,32,37)(H,33,34)(H,35,36);1-13H,27H2,(H,29,30)(H,31,32);1-13H,25H2,(H,28,29)(H,30,31);1-14H,(H,27,28)(H,29,30)
InChIKeyIVABQFAFOVYAHB-UHFFFAOYSA-N
MW2227.43 g/mol
LogP28.98
Rot. Bonds19

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole (PubChem CID 158813835) has the molecular formula C132H96F5N31O and a molecular weight of 2227.43 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole
PubChem CID158813835
Molecular FormulaC132H96F5N31O
Molecular Weight2227.43 g/mol
Exact Mass2225.83
IUPAC Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1.Fc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)c1.Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1.Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H23F3N6.C29H23FN6O.C25H17FN6.C24H17N7.C24H16N6/c31-22-4-1-3-20(12-22)23-5-2-6-26-27(23)36-29(35-26)28-24-13-19(7-8-25(24)37-38-28)21-11-18(14-34-15-21)16-39-10-9-30(32,33)17-39;1-16(2)29(37)32-19-12-18(14-31-15-19)17-10-11-24-22(13-17)27(36-35-24)28-33-25-9-5-7-21(26(25)34-28)20-6-3-4-8-23(20)30;26-20-6-2-1-4-17(20)18-5-3-7-22-23(18)30-25(29-22)24-19-11-14(8-9-21(19)31-32-24)15-10-16(27)13-28-12-15;25-17-9-16(12-27-13-17)14-6-7-20-19(10-14)23(31-30-20)24-28-21-5-1-4-18(22(21)29-24)15-3-2-8-26-11-15;1-6-18(17-5-3-11-26-14-17)22-21(7-1)27-24(28-22)23-19-12-15(8-9-20(19)29-30-23)16-4-2-10-25-13-16/h1-8,11-15H,9-10,16-17H2,(H,35,36)(H,37,38);3-16H,1-2H3,(H,32,37)(H,33,34)(H,35,36);1-13H,27H2,(H,29,30)(H,31,32);1-13H,25H2,(H,28,29)(H,30,31);1-14H,(H,27,28)(H,29,30)
InChIKeyIVABQFAFOVYAHB-UHFFFAOYSA-N
XLogP28.98
TPSA461.41 Ų
H-Bond Donors13
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002227.43
LogP ≤ 528.98
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1021

Analyze 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole with MolForge

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Related Compounds

Lorecivivint
CID 135565709
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-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 139424352
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
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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136273099
N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136273209
3-methyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136509549
N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136643023
N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136643024
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 136643025

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole?
The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole (CID 158813835) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole?
The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole is CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1.Fc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)c1.Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1.Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole?
The InChIKey is IVABQFAFOVYAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N6.C29H23FN6O.C25H17FN6.C24H17N7.C24H16N6/c31-22-4-1-3-20(12-22)23-5-2-6-26-27(23)36-29(35-26)28-24-13-19(7-8-25(24)37-38-28)21-11-18(14-34-15-21)16-39-10-9-30(32,33)17-39;1-16(2)29(37)32-19-12-18(14-31-15-19)17-10-11-24-22(13-17)27(36-35-24)28-33-25-9-5-7-21(26(25)34-28)20-6-3-4-8-23(20)30;26-20-6-2-1-4-17(20)18-5-3-7-22-23(18)30-25(29-22)24-19-11-14(8-9-21(19)31-32-24)15-10-16(27)13-28-12-15;25-17-9-16(12-27-13-17)14-6-7-20-19(10-14)23(31-30-20)24-28-21-5-1-4-18(22(21)29-24)15-3-2-8-26-11-15;1-6-18(17-5-3-11-26-14-17)22-21(7-1)27-24(28-22)23-19-12-15(8-9-20(19)29-30-23)16-4-2-10-25-13-16/h1-8,11-15H,9-10,16-17H2,(H,35,36)(H,37,38);3-16H,1-2H3,(H,32,37)(H,33,34)(H,35,36);1-13H,27H2,(H,29,30)(H,31,32);1-13H,25H2,(H,28,29)(H,30,31);1-14H,(H,27,28)(H,29,30).
What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole?
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole has a molecular weight of 2227.43 g/mol, XLogP of 28.98, 19 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 158813835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).