4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine

C22H16FN5 — CID 162041288

IUPAC4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(C3=C(c4ccncc4)N=C(c4ccccc4)C3)cc(F)c12
InChIInChI=1S/C22H16FN5/c23-17-10-15(11-19-20(17)22(24)28-27-19)16-12-18(13-4-2-1-3-5-13)26-21(16)14-6-8-25-9-7-14/h1-11H,12H2,(H3,24,27,28)
InChIKeyYXHSASCADCGKSO-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.44
Rot. Bonds3

About 4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine

4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine (PubChem CID 162041288) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine
PubChem CID162041288
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(C3=C(c4ccncc4)N=C(c4ccccc4)C3)cc(F)c12
InChIInChI=1S/C22H16FN5/c23-17-10-15(11-19-20(17)22(24)28-27-19)16-12-18(13-4-2-1-3-5-13)26-21(16)14-6-8-25-9-7-14/h1-11H,12H2,(H3,24,27,28)
InChIKeyYXHSASCADCGKSO-UHFFFAOYSA-N
XLogP4.44
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-triphenyl-3H-pyrrole
CID 143156770
5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-pyridin-2-one
CID 148508782
[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium
CID 160716030
2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid
CID 149359278
tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[2-[4-(2-methylpropyl)phenyl]-5-phenyl-3H-pyrrol-4-yl]pyridine;5-[2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-3H-pyrrol-5-yl]-2,1,3-benzoxadiazole
CID 159820079
4-fluoro-6-methyl-1H-indazol-3-amine
CID 66596243
ethane;4-fluoro-6-methyl-1H-indazol-3-amine
CID 143864751
6-pyridin-4-yl-1H-indazol-3-amine;hydrochloride
CID 53317179
2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine
CID 158954454
4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 90462189
5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine
CID 158117138
6-ethyl-4-fluoro-1H-indazol-3-amine
CID 66596230

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine?
The IUPAC name of 4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine (CID 162041288) is 4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine is Nc1n[nH]c2cc(C3=C(c4ccncc4)N=C(c4ccccc4)C3)cc(F)c12.
What is the InChIKey of 4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine?
The InChIKey is YXHSASCADCGKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c23-17-10-15(11-19-20(17)22(24)28-27-19)16-12-18(13-4-2-1-3-5-13)26-21(16)14-6-8-25-9-7-14/h1-11H,12H2,(H3,24,27,28).
What are the key properties of 4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine?
4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine has a molecular weight of 369.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 162041288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).