2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine

C22H24F4N6 — CID 162652085

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nc3c(N4CCC(N5CCNCC5)CC4)nccc3[nH]2)cc1C(F)(F)F
InChIInChI=1S/C22H24F4N6/c23-17-2-1-14(13-16(17)22(24,25)26)20-29-18-3-6-28-21(19(18)30-20)32-9-4-15(5-10-32)31-11-7-27-8-12-31/h1-3,6,13,15,27H,4-5,7-12H2,(H,29,30)
InChIKeySNNUIRDYNHJYME-UHFFFAOYSA-N
MW448.47 g/mol
LogP3.66
Rot. Bonds3

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine

2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 162652085) has the molecular formula C22H24F4N6 and a molecular weight of 448.47 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID162652085
Molecular FormulaC22H24F4N6
Molecular Weight448.47 g/mol
Exact Mass448.20
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nc3c(N4CCC(N5CCNCC5)CC4)nccc3[nH]2)cc1C(F)(F)F
InChIInChI=1S/C22H24F4N6/c23-17-2-1-14(13-16(17)22(24,25)26)20-29-18-3-6-28-21(19(18)30-20)32-9-4-15(5-10-32)31-11-7-27-8-12-31/h1-3,6,13,15,27H,4-5,7-12H2,(H,29,30)
InChIKeySNNUIRDYNHJYME-UHFFFAOYSA-N
XLogP3.66
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine
CID 162659141
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 64722297
1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol
CID 163310971
6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 64723741
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine
CID 134836577
2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79791283
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine
CID 89442792
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 71742558
5-chloro-2-(2-fluoro-4-pyridinyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137291629
5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 146484081
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
CID 142742969

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine (CID 162652085) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine is Fc1ccc(-c2nc3c(N4CCC(N5CCNCC5)CC4)nccc3[nH]2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is SNNUIRDYNHJYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N6/c23-17-2-1-14(13-16(17)22(24,25)26)20-29-18-3-6-28-21(19(18)30-20)32-9-4-15(5-10-32)31-11-7-27-8-12-31/h1-3,6,13,15,27H,4-5,7-12H2,(H,29,30).
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine?
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 448.47 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 162652085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).