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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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).