4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole

C25H17F2N5S — CID 145033210

IUPAC4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole
SMILESCc1ccncc1-c1c(C)cc2[nH]nc(-c3nc4c(-c5ccc(F)s5)cccc4[nH]3)c2c1F
InChIInChI=1S/C25H17F2N5S/c1-12-8-9-28-11-15(12)20-13(2)10-17-21(22(20)27)24(32-31-17)25-29-16-5-3-4-14(23(16)30-25)18-6-7-19(26)33-18/h3-11H,1-2H3,(H,29,30)(H,31,32)
InChIKeyQVFVDPDVFLHCAN-UHFFFAOYSA-N
MW457.51 g/mol
LogP6.79
Rot. Bonds3

About 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole

4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole (PubChem CID 145033210) has the molecular formula C25H17F2N5S and a molecular weight of 457.51 g/mol. Its IUPAC name is 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole.

Molecular Properties

Compound Name4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole
PubChem CID145033210
Molecular FormulaC25H17F2N5S
Molecular Weight457.51 g/mol
Exact Mass457.12
IUPAC Name4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole
SMILESCc1ccncc1-c1c(C)cc2[nH]nc(-c3nc4c(-c5ccc(F)s5)cccc4[nH]3)c2c1F
InChIInChI=1S/C25H17F2N5S/c1-12-8-9-28-11-15(12)20-13(2)10-17-21(22(20)27)24(32-31-17)25-29-16-5-3-4-14(23(16)30-25)18-6-7-19(26)33-18/h3-11H,1-2H3,(H,29,30)(H,31,32)
InChIKeyQVFVDPDVFLHCAN-UHFFFAOYSA-N
XLogP6.79
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ag-24322
CID 135413565
1-((1H-pyrazol-4-yl)methyl)-4-methyl-5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile
CID 91667931
N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-4-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
CID 136631124
4-benzo[b]thiophen-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11656831
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(3-methoxypropyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224679
5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224684
N4-(3-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
CID 46224695
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224696
5-(3-aminopropyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224697
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(2-(piperidin-4-yl)ethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224698
5-(4-aminobutyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224701
3-(2-amino-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propan-1-ol
CID 46224704

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole?
The IUPAC name of 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole (CID 145033210) is 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole.
What is the SMILES notation for 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole?
The canonical SMILES for 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole is Cc1ccncc1-c1c(C)cc2[nH]nc(-c3nc4c(-c5ccc(F)s5)cccc4[nH]3)c2c1F.
What is the InChIKey of 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole?
The InChIKey is QVFVDPDVFLHCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2N5S/c1-12-8-9-28-11-15(12)20-13(2)10-17-21(22(20)27)24(32-31-17)25-29-16-5-3-4-14(23(16)30-25)18-6-7-19(26)33-18/h3-11H,1-2H3,(H,29,30)(H,31,32).
What are the key properties of 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole?
4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole has a molecular weight of 457.51 g/mol, XLogP of 6.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 145033210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).