N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine

C23H17FN6 — CID 154654638

IUPACN-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cccnc1)c1cn[nH]c1-c1nc2c(-c3cccc(F)c3)cccc2[nH]1
InChIInChI=1S/C23H17FN6/c1-14(27-17-7-4-10-25-12-17)19-13-26-30-22(19)23-28-20-9-3-8-18(21(20)29-23)15-5-2-6-16(24)11-15/h2-13,27H,1H2,(H,26,30)(H,28,29)
InChIKeyFBUYCFRPKSDCPQ-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.24
Rot. Bonds5

About N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine

N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine (PubChem CID 154654638) has the molecular formula C23H17FN6 and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine
PubChem CID154654638
Molecular FormulaC23H17FN6
Molecular Weight396.43 g/mol
Exact Mass396.15
IUPAC NameN-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cccnc1)c1cn[nH]c1-c1nc2c(-c3cccc(F)c3)cccc2[nH]1
InChIInChI=1S/C23H17FN6/c1-14(27-17-7-4-10-25-12-17)19-13-26-30-22(19)23-28-20-9-3-8-18(21(20)29-23)15-5-2-6-16(24)11-15/h2-13,27H,1H2,(H,26,30)(H,28,29)
InChIKeyFBUYCFRPKSDCPQ-UHFFFAOYSA-N
XLogP5.24
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine
CID 154654255
ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine
CID 154654478
4-(3-fluorophenyl)-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole
CID 154654111
3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol
CID 136943288
N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137143286
N-(1-cyclohexylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145033208
5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109752
5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137109284
N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 139424479
4-(3-fluorophenyl)-2-methyl-1H-benzimidazole
CID 70914004
N-[5-[4-fluoro-3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136942464
4-(3-fluorophenyl)-2-[(5E)-4-methylidene-5-[(E)-3-pyrazin-2-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-benzimidazole
CID 145249634

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine?
The IUPAC name of N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine (CID 154654638) is N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine.
What is the SMILES notation for N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine?
The canonical SMILES for N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine is C=C(Nc1cccnc1)c1cn[nH]c1-c1nc2c(-c3cccc(F)c3)cccc2[nH]1.
What is the InChIKey of N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine?
The InChIKey is FBUYCFRPKSDCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6/c1-14(27-17-7-4-10-25-12-17)19-13-26-30-22(19)23-28-20-9-3-8-18(21(20)29-23)15-5-2-6-16(24)11-15/h2-13,27H,1H2,(H,26,30)(H,28,29).
What are the key properties of N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine?
N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine has a molecular weight of 396.43 g/mol, XLogP of 5.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine is sourced from PubChem (CID 154654638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).