5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine

C21H16F2N4O — CID 160630541

IUPAC5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine
SMILESCOc1cc(C2=C(c3ccncc3F)N=C(c3ccc(F)cc3)C2)cnc1N
InChIInChI=1S/C21H16F2N4O/c1-28-19-8-13(10-26-21(19)24)16-9-18(12-2-4-14(22)5-3-12)27-20(16)15-6-7-25-11-17(15)23/h2-8,10-11H,9H2,1H3,(H2,24,26)
InChIKeyRHWDKJAONLBQIO-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.11
Rot. Bonds4

About 5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine

5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine (PubChem CID 160630541) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine
PubChem CID160630541
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC Name5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine
SMILESCOc1cc(C2=C(c3ccncc3F)N=C(c3ccc(F)cc3)C2)cnc1N
InChIInChI=1S/C21H16F2N4O/c1-28-19-8-13(10-26-21(19)24)16-9-18(12-2-4-14(22)5-3-12)27-20(16)15-6-7-25-11-17(15)23/h2-8,10-11H,9H2,1H3,(H2,24,26)
InChIKeyRHWDKJAONLBQIO-UHFFFAOYSA-N
XLogP4.11
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine
CID 158117138
3-[4-(6-amino-5-methoxy-3-pyridinyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]-4-fluoro-N,N-dimethylbenzamide
CID 147716176
3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine
CID 161101816
5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]-3-methoxypyridin-2-amine
CID 59137545
5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 126673167
3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
4-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 70663373
3-(4-fluorophenyl)-4-methoxypyridine
CID 46312990
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-3H-pyrrol-5-yl]-N-[(3R)-1-[4-(6-amino-5-methoxy-3-pyridinyl)phenyl]sulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 159479227
[4-[6-amino-5-(3-methoxy-4-pyridinyl)-3-pyridinyl]phenyl]methanesulfinate
CID 174667610
3-fluoro-4-(3-fluoro-5-methoxyphenyl)pyridine
CID 165479125
5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 70970698

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine?
The IUPAC name of 5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine (CID 160630541) is 5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine?
The canonical SMILES for 5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine is COc1cc(C2=C(c3ccncc3F)N=C(c3ccc(F)cc3)C2)cnc1N.
What is the InChIKey of 5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine?
The InChIKey is RHWDKJAONLBQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O/c1-28-19-8-13(10-26-21(19)24)16-9-18(12-2-4-14(22)5-3-12)27-20(16)15-6-7-25-11-17(15)23/h2-8,10-11H,9H2,1H3,(H2,24,26).
What are the key properties of 5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine?
5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine has a molecular weight of 378.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine is sourced from PubChem (CID 160630541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).