4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine

C28H27FN4 — CID 155394843

IUPAC4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine
SMILESC=C1C(C)N(C2CC2)c2nc(N3C(=C)c4ccccc4C3c3ccc(F)cc3)ccc2N1C
InChIInChI=1S/C28H27FN4/c1-17-18(2)32(22-13-14-22)28-25(31(17)4)15-16-26(30-28)33-19(3)23-7-5-6-8-24(23)27(33)20-9-11-21(29)12-10-20/h5-12,15-16,18,22,27H,1,3,13-14H2,2,4H3
InChIKeySPPHDFUZDBEWIX-UHFFFAOYSA-N
MW438.55 g/mol
LogP6.12
Rot. Bonds3

About 4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine

4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine (PubChem CID 155394843) has the molecular formula C28H27FN4 and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine
PubChem CID155394843
Molecular FormulaC28H27FN4
Molecular Weight438.55 g/mol
Exact Mass438.22
IUPAC Name4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine
SMILESC=C1C(C)N(C2CC2)c2nc(N3C(=C)c4ccccc4C3c3ccc(F)cc3)ccc2N1C
InChIInChI=1S/C28H27FN4/c1-17-18(2)32(22-13-14-22)28-25(31(17)4)15-16-26(30-28)33-19(3)23-7-5-6-8-24(23)27(33)20-9-11-21(29)12-10-20/h5-12,15-16,18,22,27H,1,3,13-14H2,2,4H3
InChIKeySPPHDFUZDBEWIX-UHFFFAOYSA-N
XLogP6.12
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine?
The IUPAC name of 4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine (CID 155394843) is 4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine.
What is the SMILES notation for 4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine?
The canonical SMILES for 4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine is C=C1C(C)N(C2CC2)c2nc(N3C(=C)c4ccccc4C3c3ccc(F)cc3)ccc2N1C.
What is the InChIKey of 4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine?
The InChIKey is SPPHDFUZDBEWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4/c1-17-18(2)32(22-13-14-22)28-25(31(17)4)15-16-26(30-28)33-19(3)23-7-5-6-8-24(23)27(33)20-9-11-21(29)12-10-20/h5-12,15-16,18,22,27H,1,3,13-14H2,2,4H3.
What are the key properties of 4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine?
4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine has a molecular weight of 438.55 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[1-(4-fluorophenyl)-3-methylidene-1H-isoindol-2-yl]-1,3-dimethyl-2-methylidene-3H-pyrido[2,3-b]pyrazine is sourced from PubChem (CID 155394843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).