1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine

C24H23F2N5O — CID 118057675

IUPAC1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
SMILESCOc1cc(F)cc(-c2cncc(-c3nc4ccc(F)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H23F2N5O/c1-32-18-9-14(8-16(26)10-18)19-12-28-13-20(23(19)31-6-4-17(27)5-7-31)24-29-21-3-2-15(25)11-22(21)30-24/h2-3,8-13,17H,4-7,27H2,1H3,(H,29,30)
InChIKeyCDLHGKHGVXITIC-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.51
Rot. Bonds4

About 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine

1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine (PubChem CID 118057675) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
PubChem CID118057675
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
SMILESCOc1cc(F)cc(-c2cncc(-c3nc4ccc(F)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H23F2N5O/c1-32-18-9-14(8-16(26)10-18)19-12-28-13-20(23(19)31-6-4-17(27)5-7-31)24-29-21-3-2-15(25)11-22(21)30-24/h2-3,8-13,17H,4-7,27H2,1H3,(H,29,30)
InChIKeyCDLHGKHGVXITIC-UHFFFAOYSA-N
XLogP4.51
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine with MolForge

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Related Compounds

Astemizole
CID 2247
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
Branosotine
CID 146450467
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine (CID 118057675) is 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine is COc1cc(F)cc(-c2cncc(-c3nc4ccc(F)cc4[nH]3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is CDLHGKHGVXITIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-32-18-9-14(8-16(26)10-18)19-12-28-13-20(23(19)31-6-4-17(27)5-7-31)24-29-21-3-2-15(25)11-22(21)30-24/h2-3,8-13,17H,4-7,27H2,1H3,(H,29,30).
What are the key properties of 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine?
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 435.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118057675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).