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

C108H80F5N25O — CID 158347967

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
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
InChIInChI=1S/C30H23F3N6.C29H23FN6O.C25H17FN6.C24H17N7/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/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)
InChIKeyGRYSLXBDFUURQI-UHFFFAOYSA-N
MW1838.99 g/mol
LogP23.75
Rot. Bonds16

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

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 (PubChem CID 158347967) has the molecular formula C108H80F5N25O and a molecular weight of 1838.99 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.

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
PubChem CID158347967
Molecular FormulaC108H80F5N25O
Molecular Weight1838.99 g/mol
Exact Mass1837.69
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
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
InChIInChI=1S/C30H23F3N6.C29H23FN6O.C25H17FN6.C24H17N7/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/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)
InChIKeyGRYSLXBDFUURQI-UHFFFAOYSA-N
XLogP23.75
TPSA378.27 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001838.99
LogP ≤ 523.75
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

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 with MolForge

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Related Compounds

N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136643183
5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 159513309
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine
CID 137019440
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 137133950
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine
CID 136946451
N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 136942453
N-[5-[3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 157354354
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 158950912
2-methyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137216818
N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136600807
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridine
CID 148865072
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137114350

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?
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 (CID 158347967) 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.
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?
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 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.
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?
The InChIKey is GRYSLXBDFUURQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N6.C29H23FN6O.C25H17FN6.C24H17N7/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/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).
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?
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 has a molecular weight of 1838.99 g/mol, XLogP of 23.75, 16 rotatable bonds, 11 hydrogen bond donors, and 17 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 is sourced from PubChem (CID 158347967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).