7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine

C25H18F2N4 — CID 46205641

IUPAC7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine
SMILESCc1cc(C2(c3cc(-c4cccnc4)ccc3F)N=C(N)c3c(F)cccc32)ccn1
InChIInChI=1S/C25H18F2N4/c1-15-12-18(9-11-30-15)25(19-5-2-6-22(27)23(19)24(28)31-25)20-13-16(7-8-21(20)26)17-4-3-10-29-14-17/h2-14H,1H3,(H2,28,31)
InChIKeyJQEPDWJPVSFHIP-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.74
Rot. Bonds3

About 7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine

7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine (PubChem CID 46205641) has the molecular formula C25H18F2N4 and a molecular weight of 412.44 g/mol. Its IUPAC name is 7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine.

Molecular Properties

Compound Name7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine
PubChem CID46205641
Molecular FormulaC25H18F2N4
Molecular Weight412.44 g/mol
Exact Mass412.15
IUPAC Name7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine
SMILESCc1cc(C2(c3cc(-c4cccnc4)ccc3F)N=C(N)c3c(F)cccc32)ccn1
InChIInChI=1S/C25H18F2N4/c1-15-12-18(9-11-30-15)25(19-5-2-6-22(27)23(19)24(28)31-25)20-13-16(7-8-21(20)26)17-4-3-10-29-14-17/h2-14H,1H3,(H2,28,31)
InChIKeyJQEPDWJPVSFHIP-UHFFFAOYSA-N
XLogP4.74
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine?
The IUPAC name of 7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine (CID 46205641) is 7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine.
What is the SMILES notation for 7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine?
The canonical SMILES for 7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine is Cc1cc(C2(c3cc(-c4cccnc4)ccc3F)N=C(N)c3c(F)cccc32)ccn1.
What is the InChIKey of 7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine?
The InChIKey is JQEPDWJPVSFHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4/c1-15-12-18(9-11-30-15)25(19-5-2-6-22(27)23(19)24(28)31-25)20-13-16(7-8-21(20)26)17-4-3-10-29-14-17/h2-14H,1H3,(H2,28,31).
What are the key properties of 7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine?
7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine has a molecular weight of 412.44 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(2-fluoro-5-pyridin-3-ylphenyl)-3-(2-methyl-4-pyridinyl)isoindol-1-amine is sourced from PubChem (CID 46205641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).